data_2lc3_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 2lc3 _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 ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.237 0.403 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.414 ' HA2' ' CE2' ' A' ' 16' ' ' TRP . . . 81.73 10.86 83.68 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 115.189 0.836 . . . . 0.0 115.189 170.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -85.1 73.5 10.64 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 175.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.414 ' CE2' ' HA2' ' A' ' 14' ' ' GLY . 4.3 m-90 -84.57 168.04 15.74 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 124.256 1.023 . . . . 0.0 110.79 -176.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.5 m -72.98 154.95 40.31 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.621 168.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.525 HD12 ' HG2' ' A' ' 74' ' ' LYS . 51.3 mm -62.1 -46.17 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 122.618 0.367 . . . . 0.0 110.411 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.545 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 48.5 mt-10 -69.49 -28.58 66.19 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.811 -179.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.405 ' O ' ' HB2' ' A' ' 24' ' ' TYR . 56.4 t60 -62.92 -47.0 85.14 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 172.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.8 t -57.28 -64.53 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.256 177.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.545 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 11.1 pt-20 -64.23 -41.86 96.82 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -168.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -77.68 -37.14 50.33 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.383 0.427 . . . . 0.0 110.715 -174.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.405 ' HB2' ' O ' ' A' ' 20' ' ' HIS . 6.1 m-85 -96.13 -1.87 47.63 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 118.399 -0.81 . . . . 0.0 111.921 -176.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.0 mt -58.12 111.79 1.31 Allowed 'General case' 0 N--CA 1.486 1.339 0 CA-C-N 118.828 0.74 . . . . 0.0 110.552 176.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.78 2.78 39.96 Favored Glycine 0 CA--C 1.533 1.185 0 CA-C-N 115.077 -0.965 . . . . 0.0 114.238 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.3 p -93.49 -178.28 4.67 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 117.95 0.875 . . . . 0.0 110.535 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -77.31 -20.71 54.56 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.933 0.493 . . . . 0.0 110.608 171.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -79.47 -46.0 18.3 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.065 0.946 . . . . 0.0 110.697 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.13 81.19 45.39 Favored Pre-proline 0 CA--C 1.546 0.82 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 175.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.29 146.9 87.18 Favored 'Trans proline' 0 C--N 1.364 1.343 0 C-N-CA 121.971 1.781 . . . . 0.0 111.319 172.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -56.65 -38.52 72.29 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.212 1.005 . . . . 0.0 111.571 -177.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -58.12 -41.42 83.57 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 123.887 0.742 . . . . 0.0 111.618 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.95 -29.76 65.86 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.572 0.749 . . . . 0.0 112.308 -176.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -66.49 -49.93 64.96 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 173.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.0 mt -57.24 -39.78 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.691 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.9 m -64.84 -50.94 64.67 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 123.973 0.909 . . . . 0.0 110.595 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -54.56 -46.72 73.74 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.326 0.65 . . . . 0.0 110.243 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mp -61.64 -46.2 90.79 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.558 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.45 ' HA ' HD22 ' A' ' 48' ' ' LEU . 1.6 pt20 -77.21 -17.71 58.29 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.791 -0.568 . . . . 0.0 112.394 -178.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -77.31 -55.25 5.56 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.711 0.291 . . . . 0.0 110.319 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -80.53 -46.45 15.78 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.245 0.618 . . . . 0.0 112.234 -170.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.35 162.46 27.86 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -173.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.43 158.07 35.68 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 114.7 -1.136 . . . . 0.0 109.841 173.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.36 -31.13 67.33 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.417 0.687 . . . . 0.0 112.008 -176.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.56 -41.55 81.26 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.126 0.97 . . . . 0.0 112.087 177.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -64.39 -45.44 87.65 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.785 0.834 . . . . 0.0 110.487 -175.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.513 HD13 ' HB2' ' A' ' 53' ' ' LEU . 2.2 mm? -71.23 -33.16 69.62 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.833 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -68.75 -26.31 65.17 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 122.429 -0.169 . . . . 0.0 111.002 173.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -75.87 -38.17 58.18 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.098 0.559 . . . . 0.0 111.162 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -100.1 6.41 44.93 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.688 ' HB2' ' HD2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER 63.9 24.44 13.69 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 124.668 1.187 . . . . 0.0 111.508 178.263 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.513 ' HB2' HD13 ' A' ' 48' ' ' LEU . 13.8 mt -92.44 11.53 25.87 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 123.89 0.876 . . . . 0.0 110.496 176.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.3 t -80.03 -8.99 59.66 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 124.215 1.006 . . . . 0.0 113.176 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -89.97 -143.06 9.99 Favored Glycine 0 N--CA 1.479 1.516 0 CA-C-N 117.757 0.253 . . . . 0.0 113.716 -176.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.1 t -93.87 130.75 39.8 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.7 0.8 . . . . 0.0 109.338 174.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.418 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.5 m-20 -53.55 -25.07 15.47 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 124.124 0.969 . . . . 0.0 113.504 -172.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -63.89 -57.36 10.04 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 123.388 0.43 . . . . 0.0 109.958 175.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.1 t -67.89 -26.65 66.11 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.549 0.34 . . . . 0.0 110.726 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 57' ' ' ASN . 87.0 mt -68.21 -48.47 73.54 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 C-N-CA 122.627 0.371 . . . . 0.0 110.462 178.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 16.2 ptm180 -73.1 -19.19 61.2 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 118.835 0.743 . . . . 0.0 111.569 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -82.4 -37.75 25.08 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.126 0.57 . . . . 0.0 112.35 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -101.6 -29.87 11.7 Favored 'General case' 0 N--CA 1.498 1.938 0 C-N-CA 123.034 0.534 . . . . 0.0 112.164 -173.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.688 ' HD2' ' HB2' ' A' ' 52' ' ' LYS . 3.9 mmp_? -100.42 109.9 22.07 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.736 0.815 . . . . 0.0 108.93 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -78.29 179.93 6.64 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.179 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.471 ' O ' HG13 ' A' ' 70' ' ' ILE . 17.0 p -54.8 -41.9 71.16 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.218 -177.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.3 m -47.59 -44.7 26.67 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.724 1.21 . . . . 0.0 112.672 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -64.28 -45.47 87.89 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.952 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.0 mp -71.02 -36.13 72.28 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 114.803 -1.09 . . . . 0.0 112.003 -176.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.569 HG23 ' HE2' ' A' ' 74' ' ' LYS . 41.9 mt -70.57 -53.28 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 -178.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.24 -41.29 92.86 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.865 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.13 -54.77 42.95 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.14 0.576 . . . . 0.0 112.201 173.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -62.52 -41.0 98.56 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.966 0.507 . . . . 0.0 110.964 -175.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.569 ' HE2' HG23 ' A' ' 70' ' ' ILE . 55.1 mtmt -61.75 -58.01 9.68 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.806 178.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -60.3 -25.07 65.46 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.509 0.723 . . . . 0.0 112.268 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -69.0 -55.42 10.91 Favored 'General case' 0 C--O 1.26 1.646 0 C-N-CA 123.643 0.777 . . . . 0.0 110.683 176.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 64.3 m -64.53 -38.0 89.51 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.933 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -73.75 -26.36 60.63 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.577 1.151 . . . . 0.0 111.41 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -65.35 -35.17 80.16 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 122.978 0.511 . . . . 0.0 109.96 172.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.114 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 178.069 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.1 ptm . . . . . 0 N--CA 1.468 0.448 0 CA-C-O 120.215 0.055 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.62 28.49 63.19 Favored Glycine 0 C--N 1.341 0.848 0 O-C-N 123.716 0.635 . . . . 0.0 114.518 172.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.4 p -83.72 91.4 7.49 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 171.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 -93.41 171.33 8.98 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.536 0.734 . . . . 0.0 109.965 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 m -84.61 159.15 20.68 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 165.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.9 mm -58.75 -43.22 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 123.154 0.582 . . . . 0.0 110.947 -176.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.569 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 40.8 mt-10 -72.52 -30.84 64.83 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.459 -177.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -62.39 -45.26 93.93 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 172.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.45 -58.87 4.32 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.528 178.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.569 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.8 pt-20 -65.67 -41.42 92.5 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -171.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -73.94 -33.08 63.79 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.842 0.457 . . . . 0.0 111.349 -175.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -99.54 -6.91 26.65 Favored 'General case' 0 CA--C 1.553 1.083 0 CA-C-O 119.019 -0.515 . . . . 0.0 112.033 -176.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 mt -58.88 119.17 6.71 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 118.59 0.632 . . . . 0.0 112.233 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.01 8.34 54.1 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-N 115.51 -0.768 . . . . 0.0 113.436 176.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.3 p -104.84 -178.25 3.6 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.834 0.454 . . . . 0.0 110.005 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -85.76 -0.15 54.47 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 122.837 0.455 . . . . 0.0 111.115 174.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -85.65 -56.63 3.41 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 170.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -127.28 89.85 50.48 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -70.38 148.78 61.79 Favored 'Trans proline' 0 C--N 1.37 1.671 0 C-N-CA 121.707 1.605 . . . . 0.0 110.724 172.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.516 ' HD3' ' SG ' ' A' ' 66' ' ' CYS . 38.2 mtmm -54.63 -37.74 66.0 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.963 0.905 . . . . 0.0 111.045 176.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -56.78 -45.01 82.41 Favored 'General case' 0 CA--C 1.549 0.917 0 O-C-N 124.116 0.885 . . . . 0.0 111.059 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.92 -34.18 74.95 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.417 1.087 . . . . 0.0 111.819 -175.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.492 HD13 HD11 ' A' ' 39' ' ' LEU . 2.9 tm? -62.66 -54.6 37.02 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 175.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.48 HG21 ' HB3' ' A' ' 53' ' ' LEU . 56.9 mt -55.78 -41.4 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.893 178.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.7 m -57.76 -49.67 75.79 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.511 1.124 . . . . 0.0 110.914 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.428 ' HD2' HD12 ' A' ' 39' ' ' LEU . 76.2 t80 -58.33 -48.53 80.24 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 123.59 0.556 . . . . 0.0 110.394 -177.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.492 HD11 HD13 ' A' ' 35' ' ' LEU . 10.8 mp -65.86 -38.67 89.44 Favored 'General case' 0 C--O 1.212 -0.903 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.176 -176.1 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.448 ' NE2' HG22 ' A' ' 36' ' ' ILE . 1.6 pt20 -76.99 -19.56 57.15 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 118.691 0.678 . . . . 0.0 111.652 179.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -78.77 -43.32 25.8 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.826 0.45 . . . . 0.0 111.452 172.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -89.58 -42.95 11.11 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -172.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.03 169.89 14.48 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.202 0.601 . . . . 0.0 111.974 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -90.87 159.15 16.39 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.138 0.975 . . . . 0.0 110.185 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.89 -35.14 57.54 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.248 1.019 . . . . 0.0 112.953 -169.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.93 -40.16 79.77 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.02 0.928 . . . . 0.0 112.458 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -65.61 -40.44 92.63 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.729 0.812 . . . . 0.0 110.241 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.47 HD11 ' HB2' ' A' ' 53' ' ' LEU . 1.4 mm? -74.63 -28.85 61.05 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.673 178.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -75.02 -18.73 60.3 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.884 0.474 . . . . 0.0 110.703 173.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -80.61 -43.29 20.78 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.227 0.611 . . . . 0.0 111.153 173.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -100.27 6.53 44.67 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -176.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.523 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 10.5 mmpt? 67.53 24.54 8.64 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 124.464 1.106 . . . . 0.0 112.421 176.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.516 ' HA ' HD11 ' A' ' 60' ' ' ILE . 31.1 mt -90.74 7.85 37.55 Favored 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 123.895 0.878 . . . . 0.0 111.172 177.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.5 t -85.2 -5.67 59.32 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.492 0.717 . . . . 0.0 112.467 -174.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -91.75 -158.05 34.21 Favored Glycine 0 N--CA 1.474 1.176 0 N-CA-C 112.588 -0.205 . . . . 0.0 112.588 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.2 t -76.78 127.81 33.44 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 170.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.546 ' HA ' HD12 ' A' ' 60' ' ' ILE . 2.6 m-20 -56.64 -27.1 57.79 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.177 0.991 . . . . 0.0 112.36 -171.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.512 ' HA ' ' HE ' ' A' ' 61' ' ' ARG . 31.4 ttpt -58.04 -56.15 25.68 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.028 0.931 . . . . 0.0 111.011 174.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.7 m -72.76 -27.5 62.05 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.972 -174.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' A' ' 57' ' ' ASN . 51.7 mt -68.11 -48.37 74.49 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.993 0 C-N-CA 122.862 0.465 . . . . 0.0 110.008 176.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.512 ' HE ' ' HA ' ' A' ' 58' ' ' LYS . 12.7 ptt180 -76.12 -16.6 59.86 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 111.782 0.289 . . . . 0.0 111.782 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -86.99 -37.02 17.91 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 122.747 0.419 . . . . 0.0 111.583 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -93.7 -45.29 7.76 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.013 0.525 . . . . 0.0 111.281 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.8 mmp_? -87.47 147.78 25.24 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -89.37 171.36 9.8 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.276 0.63 . . . . 0.0 111.191 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.516 ' SG ' ' HD3' ' A' ' 32' ' ' LYS . 76.0 m -57.23 -33.46 67.57 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.688 173.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.2 m -51.96 -45.25 64.32 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.701 1.2 . . . . 0.0 112.482 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -62.24 -42.31 99.2 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 123.562 0.539 . . . . 0.0 110.843 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.5 mp -70.26 -34.42 72.8 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 124.579 1.174 . . . . 0.0 111.988 -176.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.453 ' O ' ' HB2' ' A' ' 74' ' ' LYS . 38.0 mt -67.33 -51.89 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 176.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.68 -33.34 74.88 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 124.382 1.051 . . . . 0.0 111.814 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.3 -54.7 21.65 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.476 0.711 . . . . 0.0 111.193 177.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -63.25 -34.92 78.71 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.147 0.579 . . . . 0.0 110.235 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 22.7 ttmt -65.08 -58.58 5.68 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.02 -0.991 . . . . 0.0 108.885 -176.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 17.8 t70 -57.88 -31.65 66.92 Favored 'General case' 0 C--O 1.209 -1.076 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.924 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -63.65 -52.29 61.4 Favored 'General case' 0 C--O 1.259 1.598 0 C-N-CA 124.2 1.0 . . . . 0.0 111.426 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 42.4 t -66.73 -37.08 83.95 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.843 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 30.5 mm-40 -75.23 -23.77 57.61 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.672 0.789 . . . . 0.0 110.944 177.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.464 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 0.5 OUTLIER -66.78 -38.36 86.41 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.923 0.889 . . . . 0.0 109.088 175.743 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.147 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.273 176.89 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.799 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.45 47.41 70.27 Favored Glycine 0 C--N 1.339 0.698 0 O-C-N 123.675 0.61 . . . . 0.0 113.809 170.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.1 m -86.85 83.25 7.58 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 170.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -83.65 170.22 14.51 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.604 0.762 . . . . 0.0 110.569 -173.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.9 m -85.71 159.76 19.71 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 170.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.468 HD11 ' HG2' ' A' ' 74' ' ' LYS . 37.6 mm -56.21 -42.64 73.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.5 0.72 . . . . 0.0 111.223 -177.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.54 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 35.8 mt-10 -71.41 -34.25 70.18 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.721 0.808 . . . . 0.0 112.034 -177.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -66.27 -42.42 88.49 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 175.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.3 t -57.18 -62.96 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.114 175.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.54 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 13.8 pt-20 -63.33 -41.94 98.94 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -170.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -78.74 -33.58 46.52 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 122.623 0.369 . . . . 0.0 111.597 -174.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -95.37 -7.28 38.98 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 118.846 -0.597 . . . . 0.0 112.206 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 mt -58.53 120.09 8.21 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 118.643 0.656 . . . . 0.0 110.965 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.02 -4.48 41.64 Favored Glycine 0 C--N 1.343 0.918 0 CA-C-N 115.629 -0.714 . . . . 0.0 113.46 177.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.6 p -91.44 -178.62 5.16 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 117.125 0.463 . . . . 0.0 110.461 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -76.44 -25.12 54.06 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.97 0.508 . . . . 0.0 110.739 171.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -75.55 -40.9 56.17 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.608 0.763 . . . . 0.0 110.918 -177.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -137.94 86.42 18.01 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 176.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.47 153.9 71.84 Favored 'Trans proline' 0 C--N 1.367 1.515 0 C-N-CA 122.347 2.032 . . . . 0.0 112.125 172.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.411 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 14.5 mttm -58.69 -38.67 78.76 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.719 172.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -54.06 -52.56 60.49 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.983 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.99 -30.3 71.49 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.256 1.022 . . . . 0.0 112.639 -174.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -66.47 -54.78 20.21 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 173.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.428 HG21 ' NE2' ' A' ' 40' ' ' GLN . 60.9 mt -55.69 -34.38 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.834 176.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.429 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 91.8 m -67.5 -51.5 50.38 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 124.347 1.059 . . . . 0.0 110.576 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.414 ' HD2' HD12 ' A' ' 39' ' ' LEU . 69.6 t80 -54.22 -44.56 71.79 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.15 0.58 . . . . 0.0 110.123 178.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.414 HD12 ' HD2' ' A' ' 38' ' ' TYR . 10.7 mp -64.33 -46.43 83.51 Favored 'General case' 0 C--O 1.202 -1.445 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.574 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.452 ' HA ' HD23 ' A' ' 48' ' ' LEU . 1.2 pt20 -73.57 -18.91 61.01 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 119.289 0.95 . . . . 0.0 112.213 -178.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 37' ' ' THR . 29.8 mtpp -76.54 -55.85 5.15 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.543 0.337 . . . . 0.0 110.138 174.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -82.8 -39.11 22.2 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.105 0.562 . . . . 0.0 112.427 -172.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.18 152.15 27.87 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 121.13 0.49 . . . . 0.0 111.65 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -75.35 157.39 34.32 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.363 174.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.48 -32.3 49.58 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.78 0.832 . . . . 0.0 113.042 -171.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.37 -40.0 73.83 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.406 1.083 . . . . 0.0 112.566 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -68.24 -37.46 80.83 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.801 0.84 . . . . 0.0 110.698 -175.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 40' ' ' GLN . 2.0 mm? -74.87 -35.52 62.33 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.988 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -67.36 -26.02 66.27 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.712 173.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -70.39 -60.85 2.03 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.042 0.537 . . . . 0.0 110.039 175.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -84.42 9.93 12.05 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -174.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.37 22.13 8.06 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 124.652 1.181 . . . . 0.0 111.081 175.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.479 ' HA ' HD11 ' A' ' 60' ' ' ILE . 21.5 mt -88.22 5.2 42.74 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 124.226 1.011 . . . . 0.0 111.03 176.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.1 t -75.64 -11.33 59.99 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.825 0.85 . . . . 0.0 112.631 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.74 -161.62 30.48 Favored Glycine 0 C--N 1.354 1.542 0 N-CA-C 112.666 -0.174 . . . . 0.0 112.666 177.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.3 t -81.58 128.87 34.38 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 172.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.532 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.6 m-20 -49.84 -28.56 6.63 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 125.193 1.397 . . . . 0.0 113.656 -173.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -68.2 -52.1 38.17 Favored 'General case' 0 C--O 1.247 0.946 0 C-N-CA 123.313 0.645 . . . . 0.0 110.831 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.8 t -61.29 -42.53 98.8 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.411 176.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 57' ' ' ASN . 56.3 mt -60.55 -49.91 82.51 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.891 0 C-N-CA 123.296 0.638 . . . . 0.0 110.971 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.411 ' HB2' ' HB2' ' A' ' 32' ' ' LYS . 24.5 ptt180 -69.54 -23.75 63.62 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.717 0.407 . . . . 0.0 111.403 -176.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.561 ' HA ' ' HE2' ' A' ' 62' ' ' LYS . 10.2 mmpt? -79.02 -32.18 44.95 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 172.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -92.69 -21.64 19.88 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.481 0.712 . . . . 0.0 111.868 -175.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 78.1 mmt-85 -125.71 113.17 16.97 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 124.589 1.156 . . . . 0.0 108.447 -175.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -78.45 -175.53 4.32 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.295 0.638 . . . . 0.0 110.798 176.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.433 ' O ' HG13 ' A' ' 70' ' ' ILE . 12.6 p -48.66 -47.86 40.25 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.027 0.931 . . . . 0.0 112.682 -177.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.4 m -48.12 -44.72 32.19 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.496 1.118 . . . . 0.0 113.463 -174.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.421 HE21 ' HA ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -68.76 -38.42 80.07 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.815 0.446 . . . . 0.0 111.584 -178.786 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.5 mp -76.52 -30.44 57.18 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.816 0.847 . . . . 0.0 111.797 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.522 HG22 ' HE2' ' A' ' 74' ' ' LYS . 58.1 mt -68.48 -48.45 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 175.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.58 -46.49 86.82 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 114.575 -1.193 . . . . 0.0 110.974 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.32 -46.17 87.89 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.71 0.804 . . . . 0.0 112.48 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -68.17 -43.62 77.77 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.729 0.412 . . . . 0.0 110.75 -177.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.522 ' HE2' HG22 ' A' ' 70' ' ' ILE . 55.1 mtmt -57.01 -56.69 18.48 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 123.726 0.641 . . . . 0.0 109.619 174.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -54.23 -35.71 62.75 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 124.527 1.142 . . . . 0.0 111.498 -176.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -69.73 -51.69 32.0 Favored 'General case' 0 C--O 1.255 1.379 0 C-N-CA 123.848 0.859 . . . . 0.0 111.764 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.37 -28.32 67.02 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.288 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -82.82 -28.74 29.99 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.162 0.985 . . . . 0.0 110.184 177.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -64.56 -33.58 76.24 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.163 0.585 . . . . 0.0 109.496 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.156 0 C-N-CA 121.073 -0.584 . . . . 0.0 111.937 172.441 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.1 ptm . . . . . 0 N--CA 1.466 0.352 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 68.65 26.42 74.46 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 115.702 1.041 . . . . 0.0 115.702 168.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -85.01 76.13 10.3 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 174.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.5 m-90 -90.44 164.49 14.27 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.763 -175.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.0 m -79.45 157.36 27.53 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.462 165.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.479 HD13 ' HG2' ' A' ' 74' ' ' LYS . 51.2 mm -60.17 -42.49 90.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 122.76 0.424 . . . . 0.0 111.045 -178.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.559 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 49.3 mt-10 -67.47 -32.83 73.95 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.668 179.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -64.09 -44.59 91.87 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 176.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.7 t -57.75 -63.02 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.265 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.559 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.8 pt-20 -62.58 -41.83 99.19 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.323 0.649 . . . . 0.0 112.629 -170.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -78.48 -38.3 41.32 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 122.656 0.382 . . . . 0.0 111.32 -173.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -90.3 -8.36 51.07 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 118.886 -0.578 . . . . 0.0 111.381 -177.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.9 mt -60.65 116.85 4.68 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 118.801 0.728 . . . . 0.0 111.408 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.31 -15.44 30.2 Favored Glycine 0 C--N 1.348 1.215 0 CA-C-N 115.364 -0.835 . . . . 0.0 112.663 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.0 p -88.91 176.7 6.92 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.843 0.457 . . . . 0.0 110.886 -177.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.72 -36.01 81.48 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.083 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -67.5 -43.82 79.97 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.39 0.676 . . . . 0.0 111.23 -177.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -133.18 87.13 39.88 Favored Pre-proline 0 N--CA 1.478 0.948 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -70.51 157.46 58.86 Favored 'Trans proline' 0 C--N 1.367 1.546 0 C-N-CA 121.674 1.582 . . . . 0.0 110.708 172.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -52.51 -47.36 66.69 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.132 0.573 . . . . 0.0 110.429 177.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -55.49 -38.37 69.05 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.586 -174.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -66.17 -39.72 89.95 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.866 0.866 . . . . 0.0 111.452 -178.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.41 -51.77 64.4 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.471 HG23 ' NE2' ' A' ' 40' ' ' GLN . 62.6 mt -55.99 -38.19 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-N 114.408 -1.269 . . . . 0.0 110.288 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 52.6 m -63.5 -52.88 59.37 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 124.482 1.113 . . . . 0.0 110.617 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.413 ' HD1' HD13 ' A' ' 39' ' ' LEU . 62.5 t80 -54.45 -46.28 73.26 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.746 0.418 . . . . 0.0 110.385 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.413 HD13 ' HD1' ' A' ' 38' ' ' TYR . 8.4 mp -64.13 -44.03 93.43 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.921 -177.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.471 ' NE2' HG23 ' A' ' 36' ' ' ILE . 1.9 pt20 -77.41 -17.81 57.82 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -81.45 -48.39 11.95 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.45 0.3 . . . . 0.0 110.945 174.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -93.78 -23.59 18.12 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -168.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.03 161.87 13.96 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 120.955 0.407 . . . . 0.0 110.943 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -75.91 158.01 32.55 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.616 170.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.17 -31.72 65.69 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.604 0.762 . . . . 0.0 112.204 -171.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.49 -38.66 72.06 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.373 1.069 . . . . 0.0 112.689 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -64.79 -41.71 95.61 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.173 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.493 HD11 ' HB2' ' A' ' 53' ' ' LEU . 1.8 mm? -73.69 -29.18 62.13 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.461 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -72.55 -22.73 60.96 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.203 0.601 . . . . 0.0 110.734 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -78.95 -51.3 9.82 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.171 0.588 . . . . 0.0 110.762 174.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -89.13 5.77 43.06 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.11 0.564 . . . . 0.0 112.309 -176.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.427 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 9.9 mmpt? 67.78 22.46 8.85 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.749 1.219 . . . . 0.0 112.057 173.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.493 ' HB2' HD11 ' A' ' 48' ' ' LEU . 18.6 mt -89.5 4.61 48.63 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 124.023 0.929 . . . . 0.0 110.48 176.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.6 t -73.17 -21.23 60.73 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.235 1.014 . . . . 0.0 112.7 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -74.11 -165.43 12.07 Favored Glycine 0 C--N 1.352 1.436 0 O-C-N 123.622 0.576 . . . . 0.0 113.195 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.8 t -77.18 130.2 36.97 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 175.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.517 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.2 m-20 -55.01 -25.76 32.38 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.045 0.938 . . . . 0.0 113.322 -173.329 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -58.72 -52.81 64.13 Favored 'General case' 0 C--O 1.255 1.36 0 C-N-CA 123.644 0.777 . . . . 0.0 110.537 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.4 m -64.55 -34.85 79.2 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.883 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' A' ' 57' ' ' ASN . 28.6 mt -73.96 -42.16 52.96 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 123.09 0.556 . . . . 0.0 110.674 -176.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -74.97 -18.07 60.44 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.621 0.368 . . . . 0.0 111.133 -178.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -86.58 -51.73 5.98 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.968 -0.457 . . . . 0.0 111.377 172.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.419 HD21 ' N ' ' A' ' 63' ' ' ASN . 0.8 OUTLIER -77.31 -48.81 16.44 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.079 0.552 . . . . 0.0 111.007 -170.731 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -84.51 144.15 28.89 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -125.17 -146.13 0.34 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.75 0.82 . . . . 0.0 108.925 -177.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.421 ' O ' HG13 ' A' ' 70' ' ' ILE . 79.8 m -58.28 -59.4 5.38 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 118.335 0.516 . . . . 0.0 111.748 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.1 m -50.29 -48.7 54.89 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -165.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -43.49 98.67 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.041 0.536 . . . . 0.0 111.28 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 mp -73.15 -33.28 65.4 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.989 -176.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.527 HG21 ' HE2' ' A' ' 74' ' ' LYS . 54.5 mt -67.42 -51.35 53.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 177.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.59 -39.76 81.27 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.418 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.3 -45.94 68.38 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.552 0.741 . . . . 0.0 112.627 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -66.41 -42.32 87.96 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 122.584 0.354 . . . . 0.0 110.354 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.527 ' HE2' HG21 ' A' ' 70' ' ' ILE . 56.2 mtmt -58.55 -54.37 47.83 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.318 175.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -53.89 -37.7 64.0 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.13 0.972 . . . . 0.0 111.509 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -66.75 -53.84 29.04 Favored 'General case' 0 C--O 1.255 1.388 0 C-N-CA 124.956 1.302 . . . . 0.0 111.825 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 63.8 m -66.66 -36.59 82.91 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.516 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -76.53 -25.98 54.71 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.951 0.9 . . . . 0.0 110.732 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -69.95 -24.7 63.39 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 123.373 0.669 . . . . 0.0 109.926 173.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.113 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.009 169.683 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.433 ' SD ' ' HD3' ' A' ' 41' ' ' LYS . 8.3 ptm . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.79 46.15 90.31 Favored Glycine 0 C--N 1.343 0.95 0 N-CA-C 116.126 1.21 . . . . 0.0 116.126 165.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.5 p -82.26 83.44 7.41 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 172.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 -91.72 165.37 13.33 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.17 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.5 m -82.51 160.95 22.52 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 166.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.404 HG22 ' HG2' ' A' ' 74' ' ' LYS . 45.7 mm -59.1 -46.55 91.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 122.854 0.461 . . . . 0.0 110.781 -178.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.597 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 49.0 mt-10 -70.99 -25.6 62.77 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.741 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -66.21 -49.37 67.51 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 172.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.3 t -55.36 -57.33 7.75 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.58 0 C-N-CA 123.49 0.716 . . . . 0.0 110.704 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.597 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 13.5 pt-20 -65.51 -44.9 85.57 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -172.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -77.59 -25.04 49.59 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.609 0.363 . . . . 0.0 111.786 -173.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -103.45 -6.23 22.06 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 118.897 -0.573 . . . . 0.0 111.94 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.47 HD22 ' HG2' ' A' ' 32' ' ' LYS . 5.8 mt -61.97 114.07 3.17 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 118.784 0.72 . . . . 0.0 110.247 175.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.17 -6.06 32.16 Favored Glycine 0 CA--C 1.527 0.836 0 CA-C-N 115.701 -0.681 . . . . 0.0 113.334 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.4 p -92.65 168.09 11.46 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 117.216 0.508 . . . . 0.0 110.259 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.27 -28.29 69.62 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.422 0.689 . . . . 0.0 110.9 175.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -71.95 -43.91 64.46 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.439 1.096 . . . . 0.0 110.387 -177.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -134.68 88.97 27.02 Favored Pre-proline 0 CA--C 1.547 0.853 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.29 150.84 59.61 Favored 'Trans proline' 0 C--N 1.369 1.625 0 C-N-CA 122.088 1.859 . . . . 0.0 111.644 174.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HG2' HD22 ' A' ' 25' ' ' LEU . 55.9 mtmt -56.33 -36.62 68.93 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.711 0.804 . . . . 0.0 110.72 175.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -48.47 -55.59 10.53 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.173 0.989 . . . . 0.0 111.701 173.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -65.28 -36.26 83.54 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.309 1.044 . . . . 0.0 111.991 -172.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.436 HD11 ' HB3' ' A' ' 69' ' ' LEU . 3.4 tm? -61.56 -57.3 12.62 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.421 0.629 . . . . 0.0 109.46 175.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.451 HG23 ' NE2' ' A' ' 40' ' ' GLN . 57.3 mt -58.76 -36.74 62.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.571 -178.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.402 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 53.9 m -59.8 -48.44 81.67 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.318 1.047 . . . . 0.0 110.679 176.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.411 ' HD1' HD13 ' A' ' 39' ' ' LEU . 48.5 t80 -53.89 -52.27 61.04 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.325 0.65 . . . . 0.0 110.03 177.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.411 HD13 ' HD1' ' A' ' 38' ' ' TYR . 10.2 mp -62.86 -40.15 96.61 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.132 -175.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.451 ' NE2' HG23 ' A' ' 36' ' ' ILE . 1.6 pt20 -79.02 -17.62 55.0 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 121.82 -0.55 . . . . 0.0 112.034 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.433 ' HD3' ' SD ' ' A' ' 13' ' ' MET . 59.6 mtpt -77.68 -49.62 14.12 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.344 0.257 . . . . 0.0 110.749 172.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -85.59 -46.3 10.94 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -172.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.41 162.74 27.61 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.145 0.498 . . . . 0.0 112.254 -178.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -82.31 161.48 22.6 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.068 173.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.58 -35.49 20.9 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.646 1.178 . . . . 0.0 112.745 -175.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.61 81.28 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.086 0.954 . . . . 0.0 112.75 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -71.61 -34.26 69.69 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.087 0.555 . . . . 0.0 110.619 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.479 HD12 ' HB2' ' A' ' 53' ' ' LEU . 2.3 mm? -73.93 -34.96 64.54 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.325 176.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -65.98 -32.29 73.68 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 120.798 0.332 . . . . 0.0 110.236 172.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -65.46 -53.47 42.32 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.268 1.027 . . . . 0.0 110.524 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -95.46 14.04 23.96 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -174.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.401 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 11.5 mmpt? 68.74 20.66 8.07 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 124.752 1.221 . . . . 0.0 111.786 174.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.479 ' HB2' HD12 ' A' ' 48' ' ' LEU . 13.6 mt -92.93 11.42 27.35 Favored 'General case' 0 CA--C 1.564 1.496 0 C-N-CA 124.439 1.095 . . . . 0.0 111.241 178.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.6 t -75.31 -22.55 57.61 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -81.14 -162.11 27.97 Favored Glycine 0 N--CA 1.475 1.292 0 CA-C-O 120.385 -0.119 . . . . 0.0 113.15 -177.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.3 t -71.59 126.79 30.61 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 176.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.566 ' HA ' HD13 ' A' ' 60' ' ' ILE . 45.1 t-20 -53.94 -30.19 45.54 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.453 1.101 . . . . 0.0 111.683 -172.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -58.19 -53.9 53.07 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.172 0.989 . . . . 0.0 111.775 174.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.4 t -69.97 -27.19 64.52 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.943 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.566 HD13 ' HA ' ' A' ' 57' ' ' ASN . 57.9 mt -71.95 -49.37 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 122.403 0.281 . . . . 0.0 110.533 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -64.92 -32.05 73.58 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.318 0.247 . . . . 0.0 110.992 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -81.14 -38.01 27.88 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.425 HD21 ' N ' ' A' ' 63' ' ' ASN . 0.8 OUTLIER -94.55 -42.47 8.8 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 122.241 -0.287 . . . . 0.0 111.698 -172.28 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.8 mmp_? -75.79 137.87 40.81 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 121.104 0.478 . . . . 0.0 110.734 -177.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.439 ' N ' HD21 ' A' ' 65' ' ' ASN . 0.7 OUTLIER -75.55 154.74 36.62 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 114.583 -1.189 . . . . 0.0 109.576 179.384 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.421 ' O ' HG13 ' A' ' 70' ' ' ILE . 26.0 p -58.65 -36.29 73.88 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.373 0.669 . . . . 0.0 111.211 -178.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.8 m -59.36 -36.69 76.2 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.576 0.75 . . . . 0.0 112.249 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -61.73 -42.51 99.05 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 122.893 0.477 . . . . 0.0 110.525 173.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.436 ' HB3' HD11 ' A' ' 35' ' ' LEU . 54.2 mt -75.33 -35.49 61.2 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.359 1.064 . . . . 0.0 111.306 -173.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.467 ' O ' ' HG3' ' A' ' 74' ' ' LYS . 63.7 mt -66.05 -58.43 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 176.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.83 -33.09 66.42 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 124.424 1.078 . . . . 0.0 111.756 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.18 -53.48 56.4 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.536 0.734 . . . . 0.0 111.933 173.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -64.33 -39.15 93.33 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 122.796 0.439 . . . . 0.0 110.933 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 70' ' ' ILE . 56.0 mtpt -59.4 -55.34 35.97 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.526 0.73 . . . . 0.0 110.072 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.17 -35.4 75.28 Favored 'General case' 0 C--O 1.204 -1.326 0 CA-C-N 114.673 -1.149 . . . . 0.0 110.257 -176.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.2 -58.74 6.63 Favored 'General case' 0 C--O 1.256 1.444 0 C-N-CA 123.96 0.904 . . . . 0.0 110.795 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 74.7 m -59.59 -35.86 75.14 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.094 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -79.38 -37.03 38.29 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.59 0.756 . . . . 0.0 111.767 -178.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -78.95 -9.53 59.54 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 123.495 0.718 . . . . 0.0 111.063 -176.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.446 0 C-N-CA 120.085 -1.055 . . . . 0.0 112.91 175.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.774 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.44 26.58 67.53 Favored Glycine 0 C--N 1.338 0.668 0 N-CA-C 114.118 0.407 . . . . 0.0 114.118 172.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.7 p -80.31 91.27 5.62 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 174.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -99.49 178.98 4.71 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.303 0.641 . . . . 0.0 110.672 -177.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.3 m -98.85 168.95 9.8 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.591 0.756 . . . . 0.0 109.231 168.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.473 HD12 ' HG2' ' A' ' 74' ' ' LYS . 49.3 mm -57.57 -44.22 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 123.653 0.781 . . . . 0.0 110.234 178.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.579 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 44.5 mt-10 -71.73 -33.89 69.1 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.384 -175.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -63.89 -45.48 89.17 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 175.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.8 t -56.14 -60.36 1.91 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.482 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.115 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.579 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 10.7 pt-20 -64.08 -42.79 96.84 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -171.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -76.25 -37.0 58.21 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.958 0.503 . . . . 0.0 111.769 -173.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -92.09 -10.44 38.99 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-O 119.165 -0.445 . . . . 0.0 111.472 -177.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.4 mt -59.17 113.44 2.13 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 118.259 0.481 . . . . 0.0 111.555 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.23 -27.54 6.65 Favored Glycine 0 C--N 1.343 0.931 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.917 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.1 p -79.28 176.84 9.31 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.062 0.545 . . . . 0.0 110.22 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -77.07 -22.28 53.09 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 172.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -59.2 -50.6 73.4 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.079 0.551 . . . . 0.0 110.085 174.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.86 82.97 19.49 Favored Pre-proline 0 N--CA 1.473 0.688 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.422 ' HG2' ' HB2' ' A' ' 34' ' ' ASP . 36.5 Cg_endo -67.92 155.12 70.95 Favored 'Trans proline' 0 C--N 1.369 1.609 0 C-N-CA 121.953 1.768 . . . . 0.0 111.117 173.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -54.57 -46.01 73.61 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.406 0.682 . . . . 0.0 110.8 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -53.47 -40.57 65.4 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.668 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.422 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 38.8 t70 -72.47 -33.86 67.31 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.321 0.648 . . . . 0.0 111.69 -173.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.57 -47.98 73.95 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 174.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.415 HG22 ' NE2' ' A' ' 40' ' ' GLN . 58.3 mt -57.68 -40.36 74.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.388 176.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 63.7 m -63.05 -49.96 72.5 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.279 1.032 . . . . 0.0 110.879 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -58.08 -44.22 87.43 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.975 0.51 . . . . 0.0 110.601 178.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.42 -41.8 98.7 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.012 0.525 . . . . 0.0 111.657 -178.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.438 ' HA ' HD23 ' A' ' 48' ' ' LEU . 1.3 pt20 -77.81 -18.13 56.7 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 122.139 -0.351 . . . . 0.0 111.818 179.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -78.69 -48.78 14.3 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 122.41 0.284 . . . . 0.0 111.123 172.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -88.39 -46.72 8.93 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.146 0.578 . . . . 0.0 112.408 -170.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.15 163.37 25.9 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 122.635 0.374 . . . . 0.0 111.49 -177.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -76.97 159.39 29.98 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.229 172.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.0 -32.79 64.27 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.691 0.796 . . . . 0.0 112.034 -175.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.51 -41.56 66.46 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.413 1.085 . . . . 0.0 112.156 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -66.22 -42.1 89.15 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.222 -177.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.497 HD11 ' HB2' ' A' ' 53' ' ' LEU . 1.8 mm? -73.14 -28.77 62.43 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.463 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -77.53 -21.26 52.91 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.017 0.527 . . . . 0.0 111.02 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -77.3 -50.13 13.5 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.617 0.767 . . . . 0.0 109.965 174.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -91.39 8.3 36.89 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.556 0.743 . . . . 0.0 111.649 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm 59.59 23.71 12.45 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 124.766 1.226 . . . . 0.0 112.323 174.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.497 ' HB2' HD11 ' A' ' 48' ' ' LEU . 22.9 mt -82.6 1.47 38.02 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 124.288 1.035 . . . . 0.0 109.887 174.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.5 t -69.76 -13.85 62.49 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.009 1.323 . . . . 0.0 112.359 175.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.97 -168.66 37.74 Favored Glycine 0 C--N 1.352 1.421 0 O-C-N 122.934 0.146 . . . . 0.0 113.027 178.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.7 t -77.25 131.2 38.07 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 173.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.522 ' HA ' HD13 ' A' ' 60' ' ' ILE . 5.5 m-20 -56.32 -25.54 49.16 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.595 0.758 . . . . 0.0 112.847 -174.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.546 ' HZ3' ' HB2' ' A' ' 58' ' ' LYS . 5.1 ttmp? -59.44 -55.03 39.76 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 123.678 0.611 . . . . 0.0 110.418 175.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.5 m -66.6 -35.36 80.0 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.083 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.522 HD13 ' HA ' ' A' ' 57' ' ' ASN . 60.2 mt -65.14 -53.59 39.11 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 O-C-N 123.583 0.552 . . . . 0.0 111.293 -178.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 4.1 ptm180 -69.24 -27.36 65.38 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 117.655 0.207 . . . . 0.0 111.062 -179.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -73.05 -46.65 50.54 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.144 0.577 . . . . 0.0 110.856 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.52 -45.95 9.5 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.658 0.783 . . . . 0.0 111.208 -172.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.484 ' HD3' HG21 ' A' ' 60' ' ' ILE . 74.1 mtp85 -90.37 151.33 21.49 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.614 0.766 . . . . 0.0 110.151 -179.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -103.87 169.86 8.26 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.103 -176.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.486 ' O ' HG13 ' A' ' 70' ' ' ILE . 28.2 p -59.81 -29.45 68.25 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.528 0.731 . . . . 0.0 111.182 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.0 m -50.82 -45.33 59.41 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.453 1.101 . . . . 0.0 112.252 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -66.09 -37.76 86.58 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.964 0.906 . . . . 0.0 111.541 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.5 mp -72.04 -33.85 68.33 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.37 1.068 . . . . 0.0 111.777 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 66' ' ' CYS . 32.3 mt -68.88 -48.11 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 175.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.62 -37.47 75.94 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.342 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.3 -44.6 67.99 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.656 0.782 . . . . 0.0 112.036 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -67.51 -38.48 84.35 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -178.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.473 ' HG2' HD12 ' A' ' 18' ' ' ILE . 55.9 mtmt -61.4 -51.71 67.6 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.376 173.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -59.92 -31.95 70.31 Favored 'General case' 0 C--O 1.201 -1.462 0 O-C-N 123.642 0.589 . . . . 0.0 111.132 -177.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -67.58 -53.66 26.33 Favored 'General case' 0 C--O 1.253 1.267 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 175.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 42.7 t -60.14 -32.07 70.67 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 114.679 -1.146 . . . . 0.0 112.077 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 27.4 mm-40 -89.51 -36.99 15.07 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.69 0.796 . . . . 0.0 111.256 -176.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -81.06 2.88 25.25 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 123.6 0.76 . . . . 0.0 110.95 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.513 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.842 166.539 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.6 ptm . . . . . 0 N--CA 1.469 0.523 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 54.99 47.78 70.94 Favored Glycine 0 C--N 1.348 1.21 0 O-C-N 123.564 0.54 . . . . 0.0 114.439 169.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.2 m -88.45 95.02 10.05 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 175.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.404 ' CE2' HD23 ' A' ' 30' ' ' LEU . 3.5 m-90 -97.97 179.37 4.81 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-O 121.505 0.669 . . . . 0.0 111.325 -173.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.7 m -92.54 163.62 13.75 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.006 166.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.523 HD13 ' HG2' ' A' ' 74' ' ' LYS . 50.5 mm -60.02 -46.14 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.383 0.673 . . . . 0.0 110.997 -177.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.523 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 1.2 tt0 -69.44 -35.02 75.28 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.338 -175.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -59.15 -45.5 90.8 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.3 t -55.57 -63.37 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.469 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.523 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 11.3 pt-20 -62.63 -44.34 96.53 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -171.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -73.17 -35.39 66.41 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.985 0.514 . . . . 0.0 111.248 -173.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -97.8 -6.56 32.43 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-O 119.173 -0.441 . . . . 0.0 111.986 -176.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.419 HD22 ' HG2' ' A' ' 32' ' ' LYS . 6.8 mt -60.92 121.48 12.48 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-N 118.508 0.595 . . . . 0.0 111.855 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.81 -0.87 55.26 Favored Glycine 0 C--N 1.344 0.987 0 CA-C-N 115.572 -0.74 . . . . 0.0 113.207 178.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.5 p -98.09 -177.86 3.87 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 117.5 0.65 . . . . 0.0 110.411 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -71.99 -22.16 61.46 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.262 0.625 . . . . 0.0 110.32 171.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -76.19 -50.62 14.03 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.789 0.836 . . . . 0.0 110.195 -175.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.404 HD23 ' CE2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -130.82 87.27 49.77 Favored Pre-proline 0 N--CA 1.476 0.838 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 176.17 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -68.33 145.86 67.1 Favored 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 121.954 1.769 . . . . 0.0 110.909 173.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.588 ' HD3' ' SG ' ' A' ' 66' ' ' CYS . 49.7 mtmt -56.35 -38.18 71.02 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.596 0.759 . . . . 0.0 111.859 -177.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -55.8 -44.83 78.2 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 124.069 0.856 . . . . 0.0 110.803 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -70.32 -30.18 67.09 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.739 0.815 . . . . 0.0 111.71 -173.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.11 -50.83 60.13 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 175.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.9 mt -61.12 -38.03 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.631 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 56.7 m -56.84 -51.35 69.34 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.656 1.183 . . . . 0.0 109.726 177.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -53.9 -49.19 69.15 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.999 0.812 . . . . 0.0 110.379 176.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.23 -43.01 99.79 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.832 -175.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.403 ' HA ' HD23 ' A' ' 48' ' ' LEU . 1.6 pt20 -80.55 -19.28 46.04 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.705 -0.622 . . . . 0.0 112.211 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -82.33 -40.13 21.86 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.513 0.325 . . . . 0.0 111.505 174.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -94.38 -23.7 17.67 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.446 0.698 . . . . 0.0 112.324 -171.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -107.9 174.08 6.04 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -175.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.426 ' O ' HD22 ' A' ' 48' ' ' LEU . 5.6 m-20 -90.88 162.56 14.74 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.787 1.235 . . . . 0.0 110.753 -177.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.24 -35.89 67.9 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.342 0.657 . . . . 0.0 111.827 -177.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.33 -41.06 75.44 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.017 0.927 . . . . 0.0 111.657 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -65.29 -45.4 84.57 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.519 -177.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.426 HD11 ' HB2' ' A' ' 53' ' ' LEU . 1.5 mm? -69.91 -42.76 72.91 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.838 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.64 -24.51 67.05 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.063 0.545 . . . . 0.0 111.21 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -74.14 -53.87 8.97 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.631 0.773 . . . . 0.0 110.327 173.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -86.3 10.21 15.51 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.428 0.691 . . . . 0.0 112.59 -174.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt 66.48 22.78 10.6 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.779 1.231 . . . . 0.0 111.091 173.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.426 ' HB2' HD11 ' A' ' 48' ' ' LEU . 28.1 mt -95.47 15.65 19.1 Favored 'General case' 0 CA--C 1.56 1.336 0 C-N-CA 125.053 1.341 . . . . 0.0 111.93 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.3 t -81.94 -9.46 59.57 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 -174.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -87.36 -147.75 12.73 Favored Glycine 0 N--CA 1.48 1.622 0 CA-C-N 117.603 0.183 . . . . 0.0 113.158 -178.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.3 t -90.1 128.7 36.38 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 176.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -56.32 -27.1 54.6 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 124.25 1.02 . . . . 0.0 112.284 -169.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -62.88 -53.87 47.52 Favored 'General case' 0 C--O 1.249 1.046 0 C-N-CA 123.577 0.751 . . . . 0.0 110.916 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 m -68.46 -33.44 74.18 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.533 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 85.4 mt -65.55 -44.33 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 122.881 0.472 . . . . 0.0 111.076 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.9 ptt85 -69.2 -32.49 71.8 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 121.848 -0.533 . . . . 0.0 109.889 176.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -72.58 -30.32 64.29 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 123.238 0.615 . . . . 0.0 112.477 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -103.83 -48.13 4.01 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.872 0.469 . . . . 0.0 111.466 -174.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.458 ' NH2' ' HG3' ' A' ' 68' ' ' GLN . 18.3 mmm180 -76.38 140.12 41.24 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -175.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -85.21 156.92 20.78 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.645 -175.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.588 ' SG ' ' HD3' ' A' ' 32' ' ' LYS . 87.4 m -56.74 -39.56 74.17 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.398 0.679 . . . . 0.0 110.661 177.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.485 ' HA ' HD12 ' A' ' 70' ' ' ILE . 16.3 m -54.91 -38.02 67.1 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.424 1.09 . . . . 0.0 111.944 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.458 ' HG3' ' NH2' ' A' ' 64' ' ' ARG . 1.2 tm0? -65.55 -46.56 79.05 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.773 0.829 . . . . 0.0 110.3 176.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.8 mp -64.41 -35.84 82.21 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.788 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 67' ' ' SER . 32.7 mt -67.02 -50.16 66.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 176.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.88 -33.24 70.27 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.114 0.966 . . . . 0.0 111.786 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.65 -46.59 37.1 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.519 0.728 . . . . 0.0 110.915 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -65.72 -38.23 88.6 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.724 0.41 . . . . 0.0 110.251 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.523 ' HG2' HD13 ' A' ' 18' ' ' ILE . 58.9 mtmt -62.56 -56.48 17.56 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.26 0.624 . . . . 0.0 109.558 175.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -50.25 -40.86 49.16 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.981 0.913 . . . . 0.0 111.315 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -67.35 -46.87 72.1 Favored 'General case' 0 C--O 1.25 1.105 0 C-N-CA 124.346 1.059 . . . . 0.0 111.485 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 43.5 t -62.76 -36.09 81.92 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.417 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 11.9 mm-40 -84.07 -24.87 30.21 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.9 0.88 . . . . 0.0 110.46 -177.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -68.22 -23.21 64.79 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.485 0.714 . . . . 0.0 110.151 168.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 1.24 0 N-CA-C 112.017 -0.433 . . . . 0.0 112.017 169.582 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.683 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.96 13.0 83.85 Favored Glycine 0 C--N 1.339 0.733 0 N-CA-C 114.821 0.688 . . . . 0.0 114.821 169.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.6 t -84.93 95.5 9.06 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 172.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 -102.03 165.87 10.93 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.282 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.4 m -71.13 152.82 43.06 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 166.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.557 HD11 ' HG2' ' A' ' 74' ' ' LYS . 50.3 mm -56.66 -41.39 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 122.948 0.499 . . . . 0.0 109.695 175.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.563 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 38.1 mt-10 -69.55 -34.79 74.7 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.863 178.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -64.68 -45.01 88.5 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 176.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.5 t -56.39 -59.75 2.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 O-C-N 124.216 0.947 . . . . 0.0 110.08 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.563 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 13.1 pt-20 -65.76 -37.75 87.21 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -171.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -83.75 -24.64 31.04 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.777 0.431 . . . . 0.0 111.966 -173.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -101.56 -8.53 21.8 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 mt -64.86 115.72 5.62 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 118.608 0.64 . . . . 0.0 110.015 177.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.6 -17.36 12.23 Favored Glycine 0 C--N 1.338 0.647 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.152 -177.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.2 p -82.58 177.11 8.88 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 173.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -84.92 -13.43 50.83 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.04 0.536 . . . . 0.0 110.431 171.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -78.45 -40.57 35.29 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.84 0.856 . . . . 0.0 110.483 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.69 79.29 64.65 Favored Pre-proline 0 C--O 1.241 0.64 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 170.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.95 154.25 63.11 Favored 'Trans proline' 0 C--N 1.371 1.714 0 C-N-CA 121.767 1.644 . . . . 0.0 111.4 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -58.12 -38.89 77.39 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.343 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -49.81 -51.12 42.08 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.597 1.159 . . . . 0.0 111.109 173.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -66.81 -36.77 83.13 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.072 0.949 . . . . 0.0 111.723 -172.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.47 HD12 ' HB3' ' A' ' 69' ' ' LEU . 2.8 tm? -63.2 -51.45 66.29 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.456 HG21 ' HB3' ' A' ' 53' ' ' LEU . 71.4 mt -59.34 -37.61 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.74 178.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.5 m -62.16 -52.28 64.44 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 124.09 0.869 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -55.61 -46.58 77.32 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.065 0.546 . . . . 0.0 110.273 177.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 mp -58.91 -44.14 91.2 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.509 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.438 ' HA ' HD22 ' A' ' 48' ' ' LEU . 1.6 pt20 -79.3 -19.39 50.55 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -74.06 -49.44 24.13 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.11 0.481 . . . . 0.0 110.333 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -93.09 -24.82 18.16 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.685 -167.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.89 173.75 8.33 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.409 0.623 . . . . 0.0 112.353 176.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -87.9 157.38 18.98 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 114.666 -1.152 . . . . 0.0 108.766 169.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.21 -29.73 47.35 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.759 0.823 . . . . 0.0 112.246 -174.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.86 -43.0 80.75 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.791 1.236 . . . . 0.0 112.388 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -64.05 -40.4 96.22 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.767 0.827 . . . . 0.0 110.424 -177.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 53' ' ' LEU . 1.4 mm? -76.61 -29.12 56.39 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.677 -178.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -70.26 -29.39 66.17 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 122.672 0.389 . . . . 0.0 110.563 173.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -70.53 -59.19 2.98 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.66 0.784 . . . . 0.0 110.729 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -81.48 1.19 34.43 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.614 0.766 . . . . 0.0 112.335 -177.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? 69.12 24.03 6.25 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 124.731 1.213 . . . . 0.0 111.619 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.482 ' HB2' HD11 ' A' ' 48' ' ' LEU . 16.5 mt -86.84 6.02 33.82 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 124.334 1.054 . . . . 0.0 111.246 177.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.4 t -78.97 -13.19 59.94 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 123.768 0.827 . . . . 0.0 112.765 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.86 -155.39 10.36 Favored Glycine 0 C--N 1.354 1.555 0 C-N-CA 122.495 0.093 . . . . 0.0 113.119 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.411 ' O ' HG13 ' A' ' 60' ' ' ILE . 9.8 t -85.29 132.65 34.23 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 173.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.491 ' HA ' HD12 ' A' ' 60' ' ' ILE . 16.2 m120 -51.99 -32.27 33.04 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.469 1.108 . . . . 0.0 113.064 -171.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -59.47 -55.04 39.63 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.837 0.855 . . . . 0.0 110.865 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.9 m -69.58 -33.48 72.78 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.423 -176.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 57' ' ' ASN . 49.9 mt -65.22 -52.32 54.1 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.093 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.661 -179.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -68.82 -27.79 66.16 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.376 0.27 . . . . 0.0 110.922 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -65.38 -44.4 87.68 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.488 0.715 . . . . 0.0 110.325 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.403 HD21 ' N ' ' A' ' 63' ' ' ASN . 1.0 OUTLIER -87.02 -53.21 5.0 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 121.109 0.481 . . . . 0.0 111.058 -177.736 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -84.88 103.41 13.92 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.12 0.968 . . . . 0.0 108.536 -177.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -70.67 172.59 8.41 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.963 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.485 ' O ' HG13 ' A' ' 70' ' ' ILE . 75.5 m -50.96 -40.67 58.22 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.785 -1.098 . . . . 0.0 112.545 -176.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.437 ' HA ' HD11 ' A' ' 70' ' ' ILE . 12.6 m -52.02 -46.98 65.21 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.564 1.146 . . . . 0.0 112.251 -177.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -65.42 -38.3 89.51 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.348 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.47 ' HB3' HD12 ' A' ' 35' ' ' LEU . 58.1 mt -74.84 -24.71 58.64 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.575 -177.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 66' ' ' CYS . 62.2 mt -70.29 -50.9 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 172.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.43 -34.06 73.43 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.352 177.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.88 -47.8 61.2 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.65 0.78 . . . . 0.0 111.956 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -66.4 -38.96 88.66 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 122.835 0.454 . . . . 0.0 110.477 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.557 ' HG2' HD11 ' A' ' 18' ' ' ILE . 55.7 mtmt -61.63 -54.95 36.01 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 175.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -52.88 -36.34 59.12 Favored 'General case' 0 C--O 1.204 -1.322 0 O-C-N 124.205 0.941 . . . . 0.0 110.928 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -66.8 -51.94 49.78 Favored 'General case' 0 C--O 1.258 1.536 0 C-N-CA 125.091 1.356 . . . . 0.0 111.653 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 41.5 t -63.57 -36.31 83.38 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.318 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 13.6 mm-40 -82.07 -24.37 35.29 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.017 0.927 . . . . 0.0 110.714 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -66.98 -32.28 73.41 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.927 0.891 . . . . 0.0 109.781 174.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.127 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.866 176.282 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.852 0 CA-C-O 120.576 0.227 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.33 39.35 31.38 Favored Glycine 0 C--N 1.334 0.431 0 CA-C-N 116.183 -0.462 . . . . 0.0 113.878 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.1 p -91.5 107.66 19.36 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 169.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -114.23 167.04 11.04 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.422 0.689 . . . . 0.0 110.648 -172.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.3 m -76.23 158.88 31.17 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 166.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.0 mm -55.06 -44.14 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 123.054 0.542 . . . . 0.0 110.199 175.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.535 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 38.5 mt-10 -66.86 -38.59 86.64 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.377 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -63.73 -44.54 93.24 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 176.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.3 t -55.01 -60.97 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.487 0.715 . . . . 0.0 110.089 176.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.535 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.8 pt-20 -63.17 -46.52 86.72 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.346 0.658 . . . . 0.0 112.715 -169.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -71.83 -41.79 67.73 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 122.971 0.508 . . . . 0.0 110.826 -173.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -90.43 -8.84 49.52 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 119.004 -0.522 . . . . 0.0 111.507 -173.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mt -57.18 125.41 22.6 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 122.899 0.48 . . . . 0.0 111.565 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.9 -3.94 52.65 Favored Glycine 0 C--N 1.345 1.056 0 CA-C-N 115.504 -0.771 . . . . 0.0 113.207 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.2 p -100.19 -173.48 2.44 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 117.338 0.569 . . . . 0.0 110.383 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -79.72 -26.27 40.9 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.908 0.483 . . . . 0.0 110.223 170.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -63.1 -53.19 57.49 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.224 0.61 . . . . 0.0 109.668 176.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -136.07 88.02 22.78 Favored Pre-proline 0 CA--C 1.542 0.654 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.91 157.58 54.55 Favored 'Trans proline' 0 C--N 1.364 1.38 0 C-N-CA 121.932 1.754 . . . . 0.0 111.332 173.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -55.37 -47.28 76.04 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.431 0.692 . . . . 0.0 110.64 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.406 ' OD1' ' HB3' ' A' ' 57' ' ' ASN . 5.0 t30 -57.74 -38.08 74.73 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.175 0.99 . . . . 0.0 111.914 -175.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -69.44 -37.34 77.34 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.579 0.752 . . . . 0.0 111.048 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.33 -51.52 67.31 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.942 0.897 . . . . 0.0 109.077 173.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.7 mt -57.41 -42.68 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 C-N-CA 124.942 1.297 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.4 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 85.5 m -64.65 -47.45 78.45 Favored 'General case' 0 C--N 1.347 0.465 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.065 -179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -58.39 -41.42 84.83 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.805 0.442 . . . . 0.0 110.828 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.2 mp -68.96 -36.98 78.55 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 122.828 0.451 . . . . 0.0 111.998 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.02 -17.8 56.65 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 118.794 0.724 . . . . 0.0 111.603 176.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 37' ' ' THR . 30.0 mtpp -80.35 -41.77 24.13 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.413 0.285 . . . . 0.0 110.879 172.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -89.77 -45.05 9.57 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -174.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.6 154.55 20.96 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.127 0.571 . . . . 0.0 111.821 -176.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -73.43 159.6 33.01 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.266 173.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.23 -31.32 31.62 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.434 1.094 . . . . 0.0 112.774 -174.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.28 -42.04 90.33 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.168 0.987 . . . . 0.0 112.333 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -67.25 -38.86 85.86 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.579 -177.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.508 HD13 ' HB2' ' A' ' 53' ' ' LEU . 2.0 mm? -71.74 -32.14 67.42 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.429 178.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -70.99 -25.81 62.86 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 122.634 0.374 . . . . 0.0 111.097 174.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -71.52 -53.91 12.29 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.152 0.581 . . . . 0.0 109.879 175.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -94.32 12.64 26.23 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.415 0.686 . . . . 0.0 112.633 -172.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.581 ' HB2' ' HD2' ' A' ' 64' ' ' ARG . 11.0 mmpt? 66.47 22.67 10.63 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.54 1.136 . . . . 0.0 112.0 172.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.508 ' HB2' HD13 ' A' ' 48' ' ' LEU . 19.6 mt -91.05 7.97 37.79 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.839 0.855 . . . . 0.0 110.565 177.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -82.09 -12.47 58.2 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 124.38 1.072 . . . . 0.0 112.7 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -77.82 -161.68 16.72 Favored Glycine 0 C--N 1.355 1.607 0 CA-C-O 120.18 -0.233 . . . . 0.0 112.798 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.414 ' O ' HG13 ' A' ' 60' ' ' ILE . 6.9 t -80.29 129.71 34.69 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 170.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.503 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.6 m-20 -51.76 -26.04 8.77 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 124.28 1.032 . . . . 0.0 113.774 -172.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -68.92 -49.76 55.31 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 123.382 0.673 . . . . 0.0 110.302 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.8 m -68.87 -27.74 66.07 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.252 177.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' A' ' 57' ' ' ASN . 61.6 mt -71.76 -49.98 41.84 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 C-N-CA 122.85 0.46 . . . . 0.0 110.098 178.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -67.94 -19.68 65.0 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 122.156 -0.34 . . . . 0.0 111.327 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -79.13 -53.82 6.61 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 171.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -91.01 -14.54 31.22 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -167.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.581 ' HD2' ' HB2' ' A' ' 52' ' ' LYS . 3.1 mmp_? -103.15 110.0 21.78 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 176.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -65.42 166.75 9.7 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.177 177.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.51 ' O ' HG13 ' A' ' 70' ' ' ILE . 24.6 p -58.26 -44.91 88.6 Favored 'General case' 0 C--O 1.213 -0.849 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.499 175.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.549 ' HA ' HD12 ' A' ' 70' ' ' ILE . 48.3 m -55.65 -33.46 64.08 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.029 0.932 . . . . 0.0 112.873 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.1 -44.13 73.08 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.567 0.747 . . . . 0.0 109.111 178.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.2 mt -73.67 -24.61 60.0 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.471 1.109 . . . . 0.0 112.524 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.551 HG23 ' HE2' ' A' ' 74' ' ' LYS . 56.5 mt -72.35 -48.75 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 173.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.34 -34.65 70.87 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.963 0.789 . . . . 0.0 111.326 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.89 -53.73 19.54 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.249 0.62 . . . . 0.0 111.556 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -65.52 -36.95 85.32 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.003 0.521 . . . . 0.0 110.474 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.551 ' HE2' HG23 ' A' ' 70' ' ' ILE . 53.6 mtmt -63.83 -52.46 60.04 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 122.759 0.424 . . . . 0.0 110.438 176.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 31.1 t70 -55.89 -39.72 71.99 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 123.784 0.677 . . . . 0.0 110.709 -177.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -60.36 -53.46 57.3 Favored 'General case' 0 C--O 1.258 1.508 0 C-N-CA 124.443 1.097 . . . . 0.0 110.606 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 84.3 m -69.7 -34.43 73.89 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 114.395 -1.275 . . . . 0.0 112.913 -176.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -79.71 -26.31 40.9 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.459 1.103 . . . . 0.0 110.21 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 3.9 t60 -65.8 -39.09 90.57 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.89 0.876 . . . . 0.0 108.865 173.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.103 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 179.609 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.37 22.99 61.56 Favored Glycine 0 C--N 1.336 0.53 0 O-C-N 123.539 0.524 . . . . 0.0 114.282 175.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.6 p -87.86 78.3 8.36 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 173.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -90.95 172.93 8.25 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.344 0.657 . . . . 0.0 110.354 -175.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.6 m -85.23 157.5 20.59 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 164.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.3 mm -59.0 -41.49 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 123.341 0.656 . . . . 0.0 111.407 -178.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.538 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 42.5 mt-10 -68.41 -34.85 76.74 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.554 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -62.63 -39.77 94.88 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 173.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 68.9 t -61.65 -56.59 16.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.436 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.538 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 9.2 pt-20 -65.25 -36.4 84.02 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -173.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -81.35 -34.24 31.91 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.03 0.206 . . . . 0.0 111.445 -177.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -101.98 -0.3 33.96 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -175.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.7 mt -61.83 122.77 16.24 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 119.085 0.857 . . . . 0.0 111.201 177.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.7 10.58 60.11 Favored Glycine 0 C--N 1.349 1.255 0 CA-C-N 115.521 -0.763 . . . . 0.0 113.826 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.4 p -100.84 -171.3 1.98 Allowed 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 117.55 0.675 . . . . 0.0 110.634 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -79.74 -28.08 40.49 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.17 0.588 . . . . 0.0 110.593 172.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -68.26 -44.24 76.03 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.514 0.725 . . . . 0.0 110.123 176.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.0 tp -144.09 93.81 5.95 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.538 177.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -62.16 152.0 78.59 Favored 'Trans proline' 0 C--N 1.362 1.274 0 C-N-CA 121.896 1.731 . . . . 0.0 110.764 164.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -57.15 -34.47 68.46 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.043 0.537 . . . . 0.0 109.968 172.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -57.76 -49.99 74.73 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.586 177.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -66.51 -33.34 75.47 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.632 0.773 . . . . 0.0 111.351 -171.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -60.68 -58.05 10.12 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.387 173.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.7 mt -59.63 -36.54 65.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.788 -177.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.8 m -58.65 -52.37 65.98 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.38 1.072 . . . . 0.0 110.177 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.435 ' HD1' HD11 ' A' ' 39' ' ' LEU . 61.8 t80 -54.58 -46.18 73.71 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.406 0.682 . . . . 0.0 110.176 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.435 HD11 ' HD1' ' A' ' 38' ' ' TYR . 9.7 mp -63.88 -42.45 97.5 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.075 -0.512 . . . . 0.0 112.327 -176.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.47 -16.51 48.56 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.669 -0.645 . . . . 0.0 112.281 -179.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.584 ' HB3' ' HZ1' ' A' ' 41' ' ' LYS . 10.5 mtpm? -77.24 -45.52 26.2 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.712 0.405 . . . . 0.0 111.224 171.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -87.49 -45.93 10.05 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.578 -172.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.481 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . . . -77.11 157.37 31.07 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 121.118 0.485 . . . . 0.0 111.918 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -76.57 158.89 30.78 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.572 167.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.86 -29.73 42.64 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.965 0.906 . . . . 0.0 112.825 -171.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.55 -44.85 73.25 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.547 1.139 . . . . 0.0 112.145 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -64.34 -42.98 95.97 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.41 -176.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.452 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.5 mm? -73.57 -28.66 61.97 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.613 -178.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -74.32 -21.77 59.56 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.855 0.462 . . . . 0.0 111.141 174.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -76.69 -49.28 16.48 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 122.61 0.364 . . . . 0.0 110.032 172.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -93.1 9.87 34.03 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -173.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.6 mmpt? 64.37 20.51 12.19 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 124.547 1.139 . . . . 0.0 111.67 175.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.525 ' HA ' HD11 ' A' ' 60' ' ' ILE . 32.0 mt -89.43 1.42 55.88 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 124.026 0.93 . . . . 0.0 110.629 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.2 t -74.52 -11.98 60.36 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.068 0.947 . . . . 0.0 112.554 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -78.8 -169.51 36.44 Favored Glycine 0 C--N 1.352 1.457 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 175.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.8 t -73.97 127.53 33.11 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 117.158 0.479 . . . . 0.0 109.72 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.576 ' HA ' HD12 ' A' ' 60' ' ' ILE . 40.2 t-20 -53.25 -36.15 60.79 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.914 1.286 . . . . 0.0 112.298 -170.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -58.72 -53.05 62.69 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.342 1.057 . . . . 0.0 111.054 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 t -62.62 -42.88 99.84 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.137 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 57' ' ' ASN . 71.2 mt -57.04 -60.42 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 O-C-N 124.077 0.86 . . . . 0.0 110.569 -176.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -60.69 -30.98 70.26 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.848 0.459 . . . . 0.0 111.982 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -68.82 -39.5 80.01 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 122.887 0.475 . . . . 0.0 111.488 175.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.88 -18.71 24.33 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.934 0.894 . . . . 0.0 111.884 -173.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.506 ' HD3' ' HG3' ' A' ' 68' ' ' GLN . 7.9 mmp_? -107.58 148.54 29.16 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.41 0.684 . . . . 0.0 110.223 -176.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -78.09 167.51 21.32 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.151 171.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.468 ' O ' HG13 ' A' ' 70' ' ' ILE . 25.1 p -57.74 -42.06 83.14 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 170.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.589 ' HA ' HD12 ' A' ' 70' ' ' ILE . 22.9 m -51.86 -37.58 52.64 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.926 1.29 . . . . 0.0 113.589 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.506 ' HG3' ' HD3' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -66.29 -46.43 77.01 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 121.241 0.543 . . . . 0.0 109.716 178.202 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.8 mt -71.93 -31.75 66.65 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.897 -173.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.589 HD12 ' HA ' ' A' ' 67' ' ' SER . 27.8 mt -65.48 -51.35 64.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 172.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.76 -40.1 69.01 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.455 1.102 . . . . 0.0 111.539 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.39 -48.29 67.82 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.934 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -65.46 -30.11 70.86 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 122.827 0.451 . . . . 0.0 110.94 178.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -67.97 -59.65 3.11 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.89 -25.45 65.1 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.833 0.453 . . . . 0.0 111.251 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.481 ' CE1' ' HB3' ' A' ' 43' ' ' ALA . 2.8 t80 -63.36 -60.8 2.9 Favored 'General case' 0 C--O 1.255 1.381 0 C-N-CA 123.851 0.86 . . . . 0.0 110.888 174.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 74.8 m -67.99 -34.49 76.63 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.939 -176.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -73.64 -35.11 65.25 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.616 0.767 . . . . 0.0 110.944 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -67.25 -29.42 69.04 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 174.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.107 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.89 176.426 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 60.08 39.84 96.3 Favored Glycine 0 C--N 1.344 0.978 0 O-C-N 123.614 0.571 . . . . 0.0 113.876 174.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.8 p -87.2 92.49 9.08 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -98.96 175.19 6.02 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 121.529 0.68 . . . . 0.0 111.299 -172.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.2 m -96.76 163.61 12.92 Favored 'General case' 0 C--O 1.245 0.857 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.141 166.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.9 mm -55.83 -45.62 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.093 0.957 . . . . 0.0 111.329 -178.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.549 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 45.3 mt-10 -72.77 -29.79 63.59 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.11 -174.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -62.17 -46.51 88.65 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 172.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.568 ' HA ' ' HG ' ' A' ' 30' ' ' LEU . 47.4 t -57.3 -60.74 1.73 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.719 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.549 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.7 pt-20 -66.43 -43.07 86.68 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -171.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -76.7 -26.99 55.31 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.918 0.487 . . . . 0.0 111.543 -174.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -109.25 1.8 20.44 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 118.557 -0.735 . . . . 0.0 112.055 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 mt -59.78 111.46 1.46 Allowed 'General case' 0 N--CA 1.49 1.556 0 CA-C-N 119.172 0.896 . . . . 0.0 110.396 175.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.66 21.75 11.01 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 115.226 -0.897 . . . . 0.0 113.168 -174.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.1 p -119.01 -177.0 3.23 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 117.328 0.564 . . . . 0.0 109.948 172.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -72.4 -34.06 67.6 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.461 0.704 . . . . 0.0 110.84 172.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -75.41 -23.73 57.06 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.544 0.737 . . . . 0.0 111.66 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.568 ' HG ' ' HA ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -150.36 85.76 5.3 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 172.536 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -65.16 148.74 89.23 Favored 'Trans proline' 0 C--N 1.368 1.574 0 C-N-CA 122.124 1.883 . . . . 0.0 111.545 168.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.499 ' NZ ' ' SG ' ' A' ' 66' ' ' CYS . 49.1 mttm -61.63 -36.75 81.67 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.027 173.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -63.88 -50.92 66.87 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 124.015 0.822 . . . . 0.0 109.339 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -59.85 -35.02 73.88 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.717 1.207 . . . . 0.0 111.692 -177.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.489 HD12 ' HB3' ' A' ' 69' ' ' LEU . 3.1 tm? -64.47 -56.21 15.67 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.531 0.732 . . . . 0.0 109.739 175.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.1 mt -59.6 -36.29 64.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 C-N-CA 123.983 0.913 . . . . 0.0 111.062 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 99.5 m -63.96 -50.32 69.08 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.899 0.88 . . . . 0.0 109.869 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -56.0 -42.65 76.73 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.355 0.662 . . . . 0.0 110.598 177.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.37 -45.01 89.59 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.569 -178.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.457 ' HA ' HD22 ' A' ' 48' ' ' LEU . 1.4 pt20 -77.74 -17.39 57.62 Favored 'General case' 0 N--CA 1.484 1.225 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -81.47 -51.32 8.41 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.641 0.376 . . . . 0.0 111.168 173.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -90.42 -33.04 16.17 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.528 0.731 . . . . 0.0 112.596 -168.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.37 165.94 16.82 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 117.915 0.325 . . . . 0.0 110.963 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -77.61 155.8 31.23 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.549 0.739 . . . . 0.0 109.551 177.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.42 -32.64 68.86 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.271 0.628 . . . . 0.0 111.512 -176.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.45 -41.01 72.3 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.511 1.124 . . . . 0.0 111.991 175.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -66.48 -37.65 85.55 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.973 0.909 . . . . 0.0 110.956 -176.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' ' 40' ' ' GLN . 1.6 mm? -77.0 -32.3 57.11 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.515 0.326 . . . . 0.0 110.836 178.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -78.1 -13.22 59.95 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.805 0.442 . . . . 0.0 110.854 175.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -81.45 -49.64 10.39 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.447 1.099 . . . . 0.0 110.321 171.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -91.01 0.99 57.41 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.51 0.724 . . . . 0.0 112.318 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm 63.84 27.52 14.55 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.763 1.225 . . . . 0.0 111.524 177.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.424 ' HB2' HD12 ' A' ' 48' ' ' LEU . 22.1 mt -85.92 1.43 50.03 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.024 172.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.4 t -65.87 -21.1 66.44 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.65 1.18 . . . . 0.0 112.408 176.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.59 -171.17 29.81 Favored Glycine 0 C--N 1.349 1.292 0 CA-C-N 116.499 -0.319 . . . . 0.0 113.34 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.0 t -74.68 133.55 42.08 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.557 ' HA ' HD13 ' A' ' 60' ' ' ILE . 39.4 t-20 -57.44 -34.15 68.65 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.081 0.952 . . . . 0.0 111.745 -170.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -54.81 -54.92 35.9 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.869 0.868 . . . . 0.0 110.168 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.2 m -68.27 -25.85 65.37 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.863 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.557 HD13 ' HA ' ' A' ' 57' ' ' ASN . 55.5 mt -73.05 -60.77 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 178.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 8.1 ptm180 -62.58 -16.36 55.94 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.301 0.641 . . . . 0.0 112.266 -178.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -87.23 -52.49 5.37 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 122.297 0.239 . . . . 0.0 111.553 173.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.84 -49.16 14.83 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 123.076 0.55 . . . . 0.0 110.943 -173.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.87 142.99 47.94 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 172.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -94.43 -178.65 4.65 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 172.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.499 ' SG ' ' NZ ' ' A' ' 32' ' ' LYS . 87.0 m -59.41 -39.82 84.66 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.942 0.497 . . . . 0.0 111.795 -177.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.9 m -54.04 -38.89 65.68 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -174.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -65.06 -40.95 95.46 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 122.768 0.427 . . . . 0.0 111.478 176.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.489 ' HB3' HD12 ' A' ' 35' ' ' LEU . 44.4 mt -74.49 -36.07 63.24 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.927 -174.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 66' ' ' CYS . 49.3 mt -64.82 -53.91 36.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 174.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.58 -35.87 77.14 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 114.499 -1.228 . . . . 0.0 111.381 -176.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.36 -44.96 81.75 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.085 0.554 . . . . 0.0 111.268 175.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -64.44 -37.59 88.06 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 122.32 0.248 . . . . 0.0 110.443 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.516 ' O ' ' HG2' ' A' ' 78' ' ' GLU . 9.4 mtpm? -62.98 -59.1 5.28 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.792 0.837 . . . . 0.0 109.409 177.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.24 -33.74 59.1 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.126 0.97 . . . . 0.0 111.816 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -66.89 -52.14 46.88 Favored 'General case' 0 C--O 1.256 1.418 0 C-N-CA 123.504 0.722 . . . . 0.0 110.558 176.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 71.0 m -63.37 -26.04 68.57 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.093 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 8.2 mm-40 -90.72 -27.79 18.72 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.68 0.792 . . . . 0.0 110.965 179.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -78.36 -16.27 57.85 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.189 0.596 . . . . 0.0 110.838 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.425 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.946 178.485 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.402 ' HE2' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.508 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.46 24.78 53.08 Favored Glycine 0 C--N 1.341 0.826 0 N-CA-C 114.631 0.612 . . . . 0.0 114.631 173.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.2 t -80.06 84.41 5.79 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 174.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 -95.06 -179.25 4.75 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.324 0.649 . . . . 0.0 110.43 -177.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.8 m -91.81 160.49 15.29 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 165.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 74' ' ' LYS . 45.9 mm -57.63 -43.66 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 123.497 0.498 . . . . 0.0 109.745 174.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.556 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 48.9 mt-10 -68.12 -37.05 80.7 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.13 -179.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -62.79 -42.97 99.94 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.4 t -58.6 -63.15 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.539 175.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.556 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.3 pt-20 -63.33 -42.08 98.94 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -169.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -75.89 -37.65 58.61 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.031 0.533 . . . . 0.0 111.333 -174.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -96.87 -0.05 48.39 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 118.789 -0.624 . . . . 0.0 112.134 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.507 HD21 ' HG2' ' A' ' 32' ' ' LYS . 6.3 mt -58.78 119.97 8.11 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 118.694 0.679 . . . . 0.0 110.95 177.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.11 -23.89 26.18 Favored Glycine 0 C--N 1.34 0.801 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.435 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.2 p -78.74 170.1 17.19 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -72.21 -17.01 61.95 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.95 0.5 . . . . 0.0 110.771 174.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -74.17 -36.38 64.07 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.668 0.787 . . . . 0.0 110.774 179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -147.45 80.48 9.13 Favored Pre-proline 0 N--CA 1.475 0.794 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.46 ' HG2' ' HB2' ' A' ' 34' ' ' ASP . 39.5 Cg_endo -68.74 146.82 67.82 Favored 'Trans proline' 0 C--N 1.373 1.822 0 C-N-CA 121.791 1.661 . . . . 0.0 111.192 174.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.695 ' HD3' ' SG ' ' A' ' 66' ' ' CYS . 56.2 mtmt -56.63 -39.59 73.92 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.249 1.02 . . . . 0.0 111.128 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -55.75 -45.16 78.09 Favored 'General case' 0 CA--C 1.553 1.064 0 O-C-N 124.191 0.932 . . . . 0.0 110.876 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.46 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 0.3 OUTLIER -64.98 -37.85 89.01 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 123.666 0.786 . . . . 0.0 111.523 -178.775 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.505 HD23 ' HB3' ' A' ' 69' ' ' LEU . 54.8 tp -60.97 -56.21 23.81 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.258 0.552 . . . . 0.0 109.926 177.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.431 HG23 ' NE2' ' A' ' 40' ' ' GLN . 60.3 mt -54.3 -40.04 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 114.558 -1.201 . . . . 0.0 111.165 178.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.6 m -58.88 -49.96 75.82 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 124.083 0.865 . . . . 0.0 110.685 176.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.418 ' HD2' HD12 ' A' ' 39' ' ' LEU . 66.9 t80 -56.12 -48.1 76.84 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 123.684 0.615 . . . . 0.0 110.414 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.418 HD12 ' HD2' ' A' ' 38' ' ' TYR . 10.7 mp -63.96 -43.34 96.07 Favored 'General case' 0 C--O 1.207 -1.142 0 O-C-N 123.852 0.72 . . . . 0.0 111.704 -176.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.431 ' HA ' HD23 ' A' ' 48' ' ' LEU . 1.4 pt20 -75.96 -19.03 59.07 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 121.55 -0.719 . . . . 0.0 112.218 -178.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.402 ' HD3' ' HE2' ' A' ' 13' ' ' MET . 50.6 mtpt -79.12 -49.29 12.84 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 123.125 0.266 . . . . 0.0 111.134 172.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.78 -45.27 12.53 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.335 0.254 . . . . 0.0 110.818 -171.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.93 152.11 33.38 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.733 0.413 . . . . 0.0 111.19 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -75.71 156.8 34.34 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 124.121 0.969 . . . . 0.0 109.203 174.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.16 -31.66 32.32 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.9 0.88 . . . . 0.0 113.229 -169.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.12 79.39 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.549 1.14 . . . . 0.0 112.335 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -63.45 -40.65 97.71 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.467 -177.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' A' ' 53' ' ' LEU . 1.7 mm? -75.68 -29.9 59.19 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.616 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 -76.38 -14.76 60.06 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.746 0.419 . . . . 0.0 110.895 174.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -78.34 -58.54 3.2 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.241 0.616 . . . . 0.0 109.504 169.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -86.16 4.97 36.14 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.337 0.655 . . . . 0.0 112.709 -173.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.28 22.98 5.22 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 125.053 1.341 . . . . 0.0 112.087 175.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.475 ' HB2' HD11 ' A' ' 48' ' ' LEU . 18.2 mt -90.97 7.46 40.15 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.834 0.853 . . . . 0.0 111.462 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -82.9 -16.42 47.59 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -173.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.32 -146.4 7.58 Favored Glycine 0 N--CA 1.479 1.522 0 CA-C-O 120.176 -0.235 . . . . 0.0 112.817 -175.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.9 t -80.29 126.44 31.14 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 173.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.462 ' HA ' HD13 ' A' ' 60' ' ' ILE . 32.3 t-20 -58.71 -27.05 64.51 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.876 0.87 . . . . 0.0 111.857 -171.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -61.32 -52.58 64.08 Favored 'General case' 0 C--O 1.249 1.069 0 C-N-CA 123.843 0.857 . . . . 0.0 111.627 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -67.33 -26.24 66.4 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.43 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 57' ' ' ASN . 45.9 mt -78.64 -52.74 15.02 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.943 0 C-N-CA 122.635 0.374 . . . . 0.0 110.631 -178.079 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -58.68 -34.45 71.29 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.591 -0.693 . . . . 0.0 111.198 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -78.19 -55.09 5.54 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.797 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -90.82 -33.43 15.69 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.281 0.632 . . . . 0.0 112.535 -167.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -78.21 119.57 21.78 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -60.11 146.6 42.53 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 123.812 0.695 . . . . 0.0 111.271 -174.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.695 ' SG ' ' HD3' ' A' ' 32' ' ' LYS . 20.6 m -54.83 -42.01 71.4 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 123.863 0.727 . . . . 0.0 110.197 177.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.485 ' HA ' HD12 ' A' ' 70' ' ' ILE . 17.0 m -55.87 -40.33 72.77 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.38 1.072 . . . . 0.0 111.941 176.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -68.83 -36.82 78.67 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.528 0.731 . . . . 0.0 110.5 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.505 ' HB3' HD23 ' A' ' 35' ' ' LEU . 72.0 mt -70.09 -39.71 75.39 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.859 0.864 . . . . 0.0 111.197 -179.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 67' ' ' SER . 28.2 mt -58.27 -51.8 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 172.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.23 -35.88 67.85 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 124.42 1.075 . . . . 0.0 111.448 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.34 -54.26 26.61 Favored 'General case' 0 CA--C 1.552 1.05 0 O-C-N 123.631 0.582 . . . . 0.0 111.341 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.416 ' HB2' HD13 ' A' ' 35' ' ' LEU . 77.1 t80 -62.37 -35.61 79.71 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 123.511 0.724 . . . . 0.0 111.148 178.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.428 ' HA ' HD12 ' A' ' 18' ' ' ILE . 33.4 ttmt -67.61 -50.12 59.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.688 -1.142 . . . . 0.0 108.496 -174.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.87 -31.37 72.52 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.021 -1.445 . . . . 0.0 111.242 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -64.1 -51.58 63.33 Favored 'General case' 0 C--O 1.252 1.222 0 C-N-CA 124.155 0.982 . . . . 0.0 110.89 178.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 69.5 m -65.99 -41.62 90.86 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.88 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -66.87 -30.34 70.49 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.395 0.678 . . . . 0.0 110.947 176.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -69.17 -30.95 69.28 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.617 0.767 . . . . 0.0 110.375 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 1.021 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.715 177.662 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.6 ptm . . . . . 0 N--CA 1.472 0.652 0 CA-C-O 120.585 0.231 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.96 20.82 79.09 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 115.532 0.973 . . . . 0.0 115.532 167.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.9 m -82.69 81.06 8.61 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 175.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.469 ' CE2' HD21 ' A' ' 30' ' ' LEU . 2.7 m-90 -100.18 170.9 8.14 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.208 0.603 . . . . 0.0 110.597 -178.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.7 m -82.34 156.19 24.37 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.1 164.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.537 HD13 ' HG2' ' A' ' 74' ' ' LYS . 45.6 mm -54.37 -40.4 48.42 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 C-N-CA 123.854 0.862 . . . . 0.0 110.885 177.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.584 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 38.2 mt-10 -70.66 -37.7 73.73 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.685 -178.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -61.6 -42.68 99.21 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-N 118.36 0.527 . . . . 0.0 109.632 176.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.8 t -56.31 -62.99 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.237 175.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.584 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 13.1 pt-20 -65.41 -35.89 82.29 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -169.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -78.46 -41.99 31.12 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.324 0.39 . . . . 0.0 110.842 -176.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -93.38 -6.84 46.28 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -175.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 25' ' ' LEU . 7.0 mt -62.91 115.99 4.88 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 118.909 0.777 . . . . 0.0 110.8 178.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 119.8 -16.14 10.33 Favored Glycine 0 C--N 1.344 0.978 0 CA-C-N 115.255 -0.884 . . . . 0.0 112.301 -178.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.3 p -94.01 -178.51 4.67 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.383 0.673 . . . . 0.0 110.53 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.95 -26.44 54.02 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.957 0.503 . . . . 0.0 110.399 170.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -66.44 -40.05 89.26 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.43 0.692 . . . . 0.0 111.068 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.469 HD21 ' CE2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -139.89 88.16 12.2 Favored Pre-proline 0 N--CA 1.472 0.654 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 172.695 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.541 ' HG2' ' HB2' ' A' ' 34' ' ' ASP . 35.5 Cg_endo -67.56 143.63 63.47 Favored 'Trans proline' 0 C--N 1.368 1.58 0 C-N-CA 121.917 1.745 . . . . 0.0 111.161 173.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -58.6 -32.11 68.67 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.236 1.015 . . . . 0.0 110.478 174.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.43 -53.88 48.25 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.104 173.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.541 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 8.9 t70 -68.67 -28.78 67.18 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.437 0.695 . . . . 0.0 111.568 -172.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.516 HD11 HD11 ' A' ' 39' ' ' LEU . 2.7 tm? -62.28 -57.44 11.37 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 173.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.452 HG21 ' NE2' ' A' ' 40' ' ' GLN . 65.5 mt -60.63 -34.45 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.437 -179.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.0 m -61.63 -47.52 85.02 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.283 1.033 . . . . 0.0 110.33 176.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.443 ' HD1' HD12 ' A' ' 39' ' ' LEU . 62.3 t80 -54.5 -49.52 69.96 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 176.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.516 HD11 HD11 ' A' ' 35' ' ' LEU . 11.1 mp -65.32 -40.0 93.16 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.883 -174.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.452 ' NE2' HG21 ' A' ' 36' ' ' ILE . 0.9 OUTLIER -78.24 -18.23 55.64 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.329 -0.857 . . . . 0.0 112.051 179.462 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -78.38 -52.66 8.25 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.624 0.37 . . . . 0.0 111.495 173.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -93.2 -36.26 12.71 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -168.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.11 154.03 23.4 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.09 155.78 39.91 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.742 0.817 . . . . 0.0 109.396 175.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.448 ' HA ' HD22 ' A' ' 48' ' ' LEU . . . -57.04 -28.04 62.19 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.579 0.752 . . . . 0.0 112.206 -171.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.12 -42.89 77.56 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.145 0.978 . . . . 0.0 112.141 177.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -65.14 -38.17 89.77 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.537 0.735 . . . . 0.0 110.407 -177.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.507 HD13 ' HB2' ' A' ' 53' ' ' LEU . 2.2 mm? -72.92 -31.96 64.99 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.248 178.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -71.57 -24.17 61.87 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.082 0.553 . . . . 0.0 111.016 174.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -75.68 -49.92 16.91 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.097 0.559 . . . . 0.0 110.748 176.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -94.21 9.23 38.79 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -174.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.405 ' HG3' ' NH2' ' A' ' 64' ' ' ARG . 11.6 mmpt? 68.28 20.49 8.74 Favored 'General case' 0 N--CA 1.497 1.922 0 C-N-CA 124.963 1.305 . . . . 0.0 111.834 176.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.509 ' HA ' HD13 ' A' ' 60' ' ' ILE . 21.5 mt -89.08 0.69 56.49 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 123.904 0.882 . . . . 0.0 111.596 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.8 t -75.13 -12.88 60.4 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 123.933 0.893 . . . . 0.0 113.005 -178.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -86.66 -151.55 19.56 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-O 120.212 -0.215 . . . . 0.0 113.174 -177.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.2 t -80.31 122.4 26.86 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.019 0.527 . . . . 0.0 110.032 175.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.445 ' HA ' HD11 ' A' ' 60' ' ' ILE . 37.3 t-20 -55.72 -30.38 61.08 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 124.292 1.037 . . . . 0.0 112.091 -170.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.07 -54.22 47.35 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.669 0.788 . . . . 0.0 111.373 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.0 m -65.74 -34.3 77.87 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.107 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.509 HD13 ' HA ' ' A' ' 53' ' ' LEU . 59.6 mt -67.21 -52.17 45.68 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.209 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.826 -178.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -67.88 -21.66 65.15 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 118.371 0.532 . . . . 0.0 111.1 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -67.85 -51.53 47.29 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.39 0.676 . . . . 0.0 111.722 173.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -82.62 -52.67 6.59 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 121.54 0.686 . . . . 0.0 110.81 -178.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.528 ' HD2' ' HG2' ' A' ' 68' ' ' GLN . 20.2 mmt180 -87.41 96.25 10.3 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.058 178.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -89.96 -163.14 0.96 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.197 0.599 . . . . 0.0 109.799 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.476 ' O ' HG13 ' A' ' 70' ' ' ILE . 20.8 p -45.92 -59.32 2.89 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.208 1.003 . . . . 0.0 113.592 -170.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.51 ' HA ' HD11 ' A' ' 70' ' ' ILE . 11.0 m -51.32 -44.43 61.96 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 124.266 1.026 . . . . 0.0 113.1 -172.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.528 ' HG2' ' HD2' ' A' ' 64' ' ' ARG . 23.5 tp60 -64.46 -43.35 94.51 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.556 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.429 ' HB3' HD12 ' A' ' 35' ' ' LEU . 80.5 mt -75.31 -28.9 59.87 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.714 -174.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.51 HD11 ' HA ' ' A' ' 67' ' ' SER . 19.2 mt -68.91 -46.14 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 173.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.38 -36.85 76.55 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.863 0.865 . . . . 0.0 111.793 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.56 -47.45 48.02 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.411 0.684 . . . . 0.0 111.519 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -61.44 -45.33 94.74 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.627 0.771 . . . . 0.0 110.234 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.537 ' HG2' HD13 ' A' ' 18' ' ' ILE . 58.0 mtmt -60.28 -51.37 69.85 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.792 175.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -51.47 -40.95 60.5 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.382 0.673 . . . . 0.0 111.551 -175.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -67.97 -55.1 13.95 Favored 'General case' 0 C--O 1.261 1.664 0 CA-C-O 121.63 0.728 . . . . 0.0 110.081 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 41.8 t -58.4 -31.44 67.69 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 114.52 -1.218 . . . . 0.0 112.274 -177.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 18.4 mm-40 -91.69 -29.47 16.83 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.155 0.982 . . . . 0.0 110.807 -177.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.67 -22.27 66.62 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 123.1 0.56 . . . . 0.0 110.811 176.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 1.068 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 178.287 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.495 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.21 16.3 80.67 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 115.073 0.789 . . . . 0.0 115.073 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.0 t -86.75 78.73 9.04 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 177.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -90.38 177.62 6.34 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.929 0.892 . . . . 0.0 111.391 -173.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.3 m -83.24 154.87 23.97 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.042 165.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 43.9 mm -58.79 -43.19 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 123.175 0.59 . . . . 0.0 110.79 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.56 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 40.7 mt-10 -69.83 -32.6 71.1 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.64 -179.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -64.97 -42.72 94.31 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 175.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.0 t -56.47 -63.11 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.209 175.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.56 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.1 pt-20 -62.82 -43.94 97.48 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -170.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -74.9 -32.9 61.95 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 122.733 0.413 . . . . 0.0 111.166 -174.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -96.49 -6.13 37.91 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 118.506 -0.759 . . . . 0.0 112.411 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.408 HD22 ' HG2' ' A' ' 32' ' ' LYS . 11.2 mt -61.51 113.89 2.93 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 119.252 0.933 . . . . 0.0 111.527 177.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.98 -15.6 25.88 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.919 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.4 p -79.41 172.5 13.71 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 117.181 0.491 . . . . 0.0 110.672 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -68.2 -29.58 68.47 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.026 171.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -71.24 -33.96 70.33 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.824 0.85 . . . . 0.0 111.922 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.11 81.95 7.95 Favored Pre-proline 0 N--CA 1.476 0.83 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 178.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.42 ' HG2' ' HB2' ' A' ' 34' ' ' ASP . 29.5 Cg_endo -64.32 151.6 84.78 Favored 'Trans proline' 0 C--N 1.367 1.53 0 C-N-CA 122.207 1.938 . . . . 0.0 111.358 171.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.408 ' HG2' HD22 ' A' ' 25' ' ' LEU . 54.4 mtmt -60.14 -36.12 76.81 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.305 0.642 . . . . 0.0 111.039 176.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -49.78 -43.19 48.1 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.12 0.968 . . . . 0.0 111.397 174.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.42 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 31.7 t70 -73.27 -34.92 66.06 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.362 1.065 . . . . 0.0 111.993 -172.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.544 ' HB3' HD21 ' A' ' 69' ' ' LEU . 2.8 tm? -64.31 -48.59 75.04 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 174.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.528 HG22 ' HB3' ' A' ' 53' ' ' LEU . 81.3 mt -57.8 -39.82 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.711 177.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.8 m -62.67 -46.9 86.04 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.864 0.865 . . . . 0.0 111.158 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -58.08 -46.33 85.64 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.3 mp -62.64 -44.2 96.87 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.376 -177.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.465 ' HA ' HD23 ' A' ' 48' ' ' LEU . 1.4 pt20 -73.94 -18.8 60.84 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -178.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -79.91 -55.04 5.26 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 122.425 0.29 . . . . 0.0 111.302 173.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -85.85 -20.42 29.14 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -168.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.471 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . . . -92.85 173.77 7.58 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.545 0.688 . . . . 0.0 112.114 174.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.88 157.13 18.54 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 114.031 -1.441 . . . . 0.0 108.366 167.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.61 -28.2 44.9 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.884 0.874 . . . . 0.0 112.976 -173.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.82 -41.25 77.49 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.425 1.09 . . . . 0.0 112.612 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -65.24 -36.93 85.65 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.669 0.788 . . . . 0.0 110.794 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 40' ' ' GLN . 2.1 mm? -79.83 -30.24 40.35 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.649 -177.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -69.3 -30.94 69.12 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 172.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -66.78 -56.94 8.21 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.907 0.883 . . . . 0.0 110.846 177.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -85.16 4.09 36.04 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.153 0.581 . . . . 0.0 112.112 -177.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 69.38 23.12 6.25 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 125.133 1.373 . . . . 0.0 111.755 175.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.528 ' HB3' HG22 ' A' ' 36' ' ' ILE . 22.0 mt -86.92 9.74 18.41 Favored 'General case' 0 CA--C 1.564 1.501 0 C-N-CA 124.683 1.193 . . . . 0.0 111.693 177.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -79.4 -4.85 52.99 Favored 'General case' 0 CA--C 1.565 1.524 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -92.33 -140.97 9.88 Favored Glycine 0 N--CA 1.487 2.091 0 CA-C-O 120.072 -0.293 . . . . 0.0 113.554 -176.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.5 t -95.97 125.75 40.74 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 170.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.434 ' HA ' HD11 ' A' ' 60' ' ' ILE . 4.7 m-20 -51.85 -25.19 7.32 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 124.449 1.1 . . . . 0.0 113.691 -171.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 61' ' ' ARG . 14.2 tmtt? -66.8 -56.09 11.97 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.831 0.852 . . . . 0.0 110.62 177.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.9 m -72.88 -27.61 62.01 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.826 -177.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' A' ' 53' ' ' LEU . 70.1 mt -64.66 -59.51 4.08 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.127 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 173.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 15.2 ptt180 -59.88 -25.78 65.35 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 122.884 0.474 . . . . 0.0 111.108 -175.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.06 -53.63 35.88 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 122.841 0.456 . . . . 0.0 110.119 171.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -85.13 1.43 47.95 Favored 'General case' 0 N--CA 1.499 1.977 0 C-N-CA 123.391 0.676 . . . . 0.0 112.321 -178.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.521 ' HE ' ' HA ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -132.48 97.27 4.04 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -176.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -69.03 171.91 7.48 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.397 0.679 . . . . 0.0 110.947 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.51 ' O ' HG13 ' A' ' 70' ' ' ILE . 24.1 p -52.82 -43.65 66.12 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.77 179.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.1 m -47.33 -51.78 18.4 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.659 1.184 . . . . 0.0 112.638 -179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -44.29 96.31 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.605 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.544 HD21 ' HB3' ' A' ' 35' ' ' LEU . 11.1 mp -69.7 -32.37 70.92 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.787 0.835 . . . . 0.0 112.889 -178.322 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 66' ' ' CYS . 30.1 mt -66.41 -53.63 34.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 177.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.04 -32.94 71.38 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 124.424 1.077 . . . . 0.0 111.683 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.49 -50.02 64.64 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.261 0.625 . . . . 0.0 111.679 176.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -68.35 -32.62 72.85 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.637 0.775 . . . . 0.0 110.611 -178.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.447 ' HZ2' ' HB3' ' A' ' 74' ' ' LYS . 9.7 mtpm? -65.4 -59.74 3.7 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 176.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.57 -26.79 56.18 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 124.119 0.968 . . . . 0.0 112.081 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CE1' ' HB3' ' A' ' 43' ' ' ALA . 4.5 t80 -68.57 -58.53 4.15 Favored 'General case' 0 C--O 1.252 1.187 0 C-N-CA 124.028 0.931 . . . . 0.0 110.58 177.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 35.1 t -70.02 -25.5 63.6 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.492 -176.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -86.4 -25.11 25.46 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.015 0.926 . . . . 0.0 110.851 178.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -67.56 -27.79 67.24 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 168.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.175 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 178.712 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.4 ptm . . . . . 0 N--CA 1.468 0.466 0 CA-C-O 121.225 0.536 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.469 ' HA2' ' CZ2' ' A' ' 16' ' ' TRP . . . 78.51 17.09 78.34 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 114.446 -1.252 . . . . 0.0 115.867 166.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.2 m -90.13 80.2 6.34 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 117.505 0.652 . . . . 0.0 109.571 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.469 ' CZ2' ' HA2' ' A' ' 14' ' ' GLY . 2.9 m-90 -100.25 173.71 6.48 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.009 0.924 . . . . 0.0 109.61 178.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.6 m -82.65 159.66 22.62 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 168.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.508 HD12 ' HG2' ' A' ' 74' ' ' LYS . 49.3 mm -60.69 -47.9 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 123.073 0.549 . . . . 0.0 111.156 -176.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.618 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 48.7 mt-10 -68.8 -30.61 69.22 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.439 -177.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -62.53 -44.94 95.13 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 174.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.7 t -59.42 -62.16 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.829 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.618 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 13.5 pt-20 -63.79 -35.12 79.57 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 112.7 0.629 . . . . 0.0 112.7 -169.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -77.97 -45.44 23.88 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 122.437 0.295 . . . . 0.0 111.042 -178.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -84.43 -8.53 58.94 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.47 -175.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mt -63.71 119.27 9.6 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 118.178 0.445 . . . . 0.0 109.973 174.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.86 -21.65 11.09 Favored Glycine 0 C--N 1.338 0.655 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.501 -177.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.7 p -84.56 -176.74 6.37 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 171.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -96.69 -8.29 31.83 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 109.965 -0.384 . . . . 0.0 109.965 171.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -68.95 -46.3 68.55 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.37 82.88 62.1 Favored Pre-proline 0 N--CA 1.477 0.88 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 168.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.68 148.38 46.91 Favored 'Trans proline' 0 C--N 1.368 1.571 0 C-N-CA 121.609 1.539 . . . . 0.0 110.732 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -56.06 -40.26 73.28 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.59 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -57.19 -43.34 82.62 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.005 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.482 ' HA ' ' HB ' ' A' ' 37' ' ' THR . 26.2 t70 -78.65 -24.55 45.13 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -173.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.83 -51.0 53.52 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 173.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.9 mt -59.4 -39.01 78.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.235 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.482 ' HB ' ' HA ' ' A' ' 34' ' ' ASP . 16.2 m -58.63 -46.69 86.54 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 124.424 1.077 . . . . 0.0 110.684 175.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -55.3 -48.59 73.87 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 123.401 0.438 . . . . 0.0 110.172 176.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.8 mt -64.09 -40.17 95.64 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.669 -174.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.505 ' HA ' HD21 ' A' ' 48' ' ' LEU . 1.4 pt20 -81.36 -18.56 45.19 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -178.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -78.75 -55.43 5.18 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 120.899 0.381 . . . . 0.0 110.821 172.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -89.2 -18.65 26.69 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -165.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.49 175.24 5.54 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 118.565 0.621 . . . . 0.0 112.003 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -81.84 161.04 23.34 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.924 0.889 . . . . 0.0 110.212 175.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.29 -33.69 67.92 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.361 0.665 . . . . 0.0 110.717 177.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.86 -41.58 70.99 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.504 1.122 . . . . 0.0 112.071 177.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -66.93 -38.98 87.2 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.855 0.862 . . . . 0.0 110.592 -176.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.505 HD21 ' HA ' ' A' ' 40' ' ' GLN . 1.9 mm? -70.38 -45.02 66.84 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.107 178.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -60.31 -31.11 69.96 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.112 0.565 . . . . 0.0 110.973 176.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -69.3 -46.84 66.19 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.242 1.017 . . . . 0.0 110.718 177.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -96.59 13.11 29.29 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.168 0.587 . . . . 0.0 112.339 -178.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt 63.8 21.91 12.85 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 124.519 1.128 . . . . 0.0 112.424 175.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.498 ' HB2' HD13 ' A' ' 48' ' ' LEU . 13.4 mt -91.31 16.89 9.17 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 124.646 1.178 . . . . 0.0 111.378 178.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.3 t -81.71 -16.58 50.76 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.133 0.573 . . . . 0.0 112.438 -176.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.83 -168.58 39.59 Favored Glycine 0 N--CA 1.483 1.768 0 CA-C-O 119.823 -0.432 . . . . 0.0 112.558 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.2 t -71.59 136.28 47.34 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 117.685 0.742 . . . . 0.0 110.131 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.581 ' HA ' HD12 ' A' ' 60' ' ' ILE . 35.9 t-20 -59.03 -28.03 66.04 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.39 1.076 . . . . 0.0 112.042 -169.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -65.59 -48.53 72.0 Favored 'General case' 0 C--O 1.252 1.232 0 C-N-CA 123.621 0.768 . . . . 0.0 110.744 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.5 t -64.71 -37.81 88.85 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.176 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 57' ' ' ASN . 56.8 mt -65.05 -50.94 72.08 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 C-N-CA 122.926 0.491 . . . . 0.0 110.568 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -65.13 -21.73 66.83 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.519 0.328 . . . . 0.0 110.97 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.19 -59.47 2.69 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 170.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -76.09 -44.3 39.43 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.043 0.449 . . . . 0.0 111.027 -169.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.62 124.28 28.0 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.753 0.821 . . . . 0.0 109.089 172.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -86.94 -179.05 6.44 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.224 174.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.451 ' O ' HG13 ' A' ' 70' ' ' ILE . 26.1 p -52.13 -43.51 64.04 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.797 0.839 . . . . 0.0 110.944 178.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.6 m -49.86 -46.38 51.38 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.92 1.288 . . . . 0.0 113.025 -176.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -65.62 -40.26 92.38 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.278 0.631 . . . . 0.0 111.071 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.2 mp -70.61 -37.79 73.9 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.739 -1.118 . . . . 0.0 111.394 -177.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.545 HG22 ' HE2' ' A' ' 74' ' ' LYS . 47.2 mt -66.89 -47.57 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.87 90.21 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.716 0.806 . . . . 0.0 111.439 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.58 -44.22 71.24 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.508 0.723 . . . . 0.0 112.262 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -67.8 -45.07 75.81 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 122.75 0.42 . . . . 0.0 110.102 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.545 ' HE2' HG22 ' A' ' 70' ' ' ILE . 55.0 mtmt -59.52 -46.7 88.09 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.982 175.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.549 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 35.7 t70 -53.75 -49.58 67.88 Favored 'General case' 0 C--O 1.195 -1.814 0 O-C-N 124.267 0.979 . . . . 0.0 109.805 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -63.62 -48.99 75.05 Favored 'General case' 0 C--O 1.251 1.162 0 C-N-CA 124.969 1.308 . . . . 0.0 111.715 -175.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 71.2 m -58.27 -40.74 82.68 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.282 0.633 . . . . 0.0 111.057 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -82.98 -22.72 33.6 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.113 0.965 . . . . 0.0 111.485 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.549 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 0.6 OUTLIER -73.73 -25.13 60.05 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 124.633 1.173 . . . . 0.0 110.239 -178.036 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.132 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.546 -172.742 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.26 35.3 53.15 Favored Glycine 0 C--N 1.338 0.674 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.523 -176.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.8 p -95.17 89.34 5.49 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -96.96 176.2 6.05 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.338 0.655 . . . . 0.0 110.363 -174.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.7 m -85.75 157.51 20.25 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.58 0.752 . . . . 0.0 109.143 170.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.52 HD12 ' HG2' ' A' ' 74' ' ' LYS . 46.8 mm -61.22 -49.45 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 123.049 0.54 . . . . 0.0 110.593 -178.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.601 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 50.4 mt-10 -72.37 -24.16 61.23 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.95 -178.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -63.13 -51.6 65.83 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 170.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.3 t -55.58 -58.45 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.692 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.601 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.8 pt-20 -64.43 -44.04 92.41 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -173.07 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -77.59 -22.91 50.17 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.896 0.478 . . . . 0.0 112.069 -174.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -102.5 -7.78 21.61 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 118.849 -0.596 . . . . 0.0 111.519 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.3 mt -59.34 113.4 2.15 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 118.71 0.686 . . . . 0.0 111.254 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.52 -2.08 21.92 Favored Glycine 0 C--N 1.343 0.924 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.957 -178.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.8 p -102.17 -173.52 2.36 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 117.606 0.703 . . . . 0.0 110.547 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -79.77 -27.12 40.47 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.669 0.788 . . . . 0.0 110.246 171.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -74.29 -32.89 63.07 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.674 0.789 . . . . 0.0 111.509 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.41 83.71 5.37 Favored Pre-proline 0 N--CA 1.474 0.729 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 173.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.98 156.64 38.72 Favored 'Trans proline' 0 CA--C 1.547 1.159 0 C-N-CA 122.081 1.854 . . . . 0.0 111.59 172.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -56.19 -44.99 79.97 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.833 0.853 . . . . 0.0 111.465 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -61.0 -41.64 96.91 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.492 0.717 . . . . 0.0 111.689 -176.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -63.46 -40.65 97.7 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.559 0.744 . . . . 0.0 111.327 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.462 HD11 ' HB2' ' A' ' 73' ' ' TYR . 57.8 tp -60.48 -55.76 29.55 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.388 175.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.468 HG23 ' NE2' ' A' ' 40' ' ' GLN . 66.5 mt -51.91 -39.24 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 124.511 1.124 . . . . 0.0 111.243 177.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.5 m -63.07 -48.34 79.07 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.091 0.956 . . . . 0.0 111.313 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -56.83 -43.9 81.53 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 176.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 35' ' ' LEU . 9.3 mp -64.67 -38.94 92.7 Favored 'General case' 0 C--O 1.212 -0.875 0 C-N-CA 123.18 0.592 . . . . 0.0 111.508 -176.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.468 ' NE2' HG23 ' A' ' 36' ' ' ILE . 1.1 pt20 -83.55 -19.09 36.26 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.885 -0.509 . . . . 0.0 112.133 -179.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -81.12 -44.14 18.37 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 120.566 0.222 . . . . 0.0 110.8 174.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -91.11 -40.79 11.4 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.902 0.481 . . . . 0.0 111.884 -172.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.48 156.8 19.97 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 121.02 0.438 . . . . 0.0 111.291 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -80.23 162.59 24.56 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.768 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.63 -37.94 43.3 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 124.255 1.022 . . . . 0.0 112.729 -174.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.2 -42.71 77.62 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.282 1.033 . . . . 0.0 112.439 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -64.33 -43.45 94.62 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.291 -176.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 40' ' ' GLN . 1.5 mm? -69.43 -36.51 76.73 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.424 179.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -67.4 -28.14 67.67 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.472 0.309 . . . . 0.0 111.418 176.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -73.96 -56.26 5.16 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.547 0.739 . . . . 0.0 110.07 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -86.13 11.83 10.98 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.344 0.658 . . . . 0.0 112.428 -175.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.431 ' HA ' ' HE3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER 70.91 19.97 5.55 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 125.121 1.368 . . . . 0.0 111.97 171.343 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.405 ' HB2' HD12 ' A' ' 48' ' ' LEU . 15.4 mt -90.74 4.18 52.29 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.283 1.033 . . . . 0.0 111.743 179.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -72.46 -14.59 61.72 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -177.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -81.63 -171.04 45.05 Favored Glycine 0 C--N 1.347 1.19 0 N-CA-C 112.405 -0.278 . . . . 0.0 112.405 175.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.6 t -74.45 138.3 43.17 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 177.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.51 ' HA ' HD12 ' A' ' 60' ' ' ILE . 4.1 m-20 -57.18 -26.01 59.92 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.156 0.982 . . . . 0.0 112.935 -175.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -56.82 -55.0 40.01 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.91 0.884 . . . . 0.0 110.017 175.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.0 m -65.36 -39.18 92.01 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.409 -1.269 . . . . 0.0 111.237 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 57' ' ' ASN . 31.3 mt -66.69 -53.06 38.73 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 123.165 0.291 . . . . 0.0 111.111 -175.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 9.2 ptm180 -64.61 -40.39 95.41 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.3 0.24 . . . . 0.0 110.774 -178.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -74.12 -43.62 56.84 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 122.515 0.326 . . . . 0.0 111.088 -173.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -82.26 -53.74 5.81 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -176.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.429 HH11 ' HA ' ' A' ' 60' ' ' ILE . 2.9 mpt_? -80.59 126.85 31.77 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.881 -173.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -73.21 178.32 4.53 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.229 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.425 ' O ' HG13 ' A' ' 70' ' ' ILE . 26.6 p -60.93 -44.12 97.67 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 122.809 0.444 . . . . 0.0 112.002 -174.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.492 ' HA ' HD11 ' A' ' 70' ' ' ILE . 50.1 m -54.67 -37.62 65.96 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -173.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -58.97 -46.01 89.13 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.858 0.837 . . . . 0.0 110.519 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.42 ' HB3' HD22 ' A' ' 35' ' ' LEU . 41.2 mt -78.13 -33.43 50.45 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 114.186 -1.37 . . . . 0.0 111.064 -172.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.492 HD11 ' HA ' ' A' ' 67' ' ' SER . 43.1 mt -63.21 -50.43 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 173.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.88 -38.6 76.05 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.159 0.984 . . . . 0.0 111.19 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.3 -48.52 67.4 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.051 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.462 ' HB2' HD11 ' A' ' 35' ' ' LEU . 85.5 t80 -63.25 -44.66 94.54 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 122.9 0.48 . . . . 0.0 110.826 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.52 ' HG2' HD12 ' A' ' 18' ' ' ILE . 53.8 mtmt -57.74 -54.01 51.72 Favored 'General case' 0 C--O 1.208 -1.12 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.544 177.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 30.8 t70 -54.29 -45.09 72.45 Favored 'General case' 0 C--O 1.205 -1.274 0 O-C-N 124.213 0.946 . . . . 0.0 111.373 -176.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.64 -51.33 70.37 Favored 'General case' 0 C--O 1.253 1.245 0 C-N-CA 124.337 1.055 . . . . 0.0 110.689 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 48.2 t -61.28 -44.02 97.91 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 114.136 -1.393 . . . . 0.0 110.94 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -75.06 -24.24 58.2 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 125.411 1.485 . . . . 0.0 110.869 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 60.0 t60 -75.78 -19.38 59.04 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.301 1.041 . . . . 0.0 108.971 176.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 1.31 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 171.2 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.8 ptt? . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 110.64 -0.133 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.24 23.03 46.08 Favored Glycine 0 C--N 1.346 1.116 0 N-CA-C 116.084 1.193 . . . . 0.0 116.084 164.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.2 m -88.23 90.96 8.6 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 177.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -102.41 173.04 6.53 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.777 0.831 . . . . 0.0 110.22 -176.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.2 m -86.72 164.92 16.46 Favored 'General case' 0 C--O 1.247 0.928 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 162.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.4 mm -59.47 -40.55 82.08 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 122.992 0.517 . . . . 0.0 110.557 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.497 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 46.4 mt-10 -61.11 -41.69 97.15 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.803 0.841 . . . . 0.0 112.777 -177.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -61.58 -41.44 97.4 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 118.407 0.549 . . . . 0.0 110.366 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.68 -60.95 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.993 177.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.497 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 10.7 pt-20 -65.93 -27.36 68.12 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -170.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -89.65 -38.02 14.21 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 122.329 0.252 . . . . 0.0 111.506 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -102.04 2.34 37.56 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.593 0.357 . . . . 0.0 111.784 -173.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.524 HD21 ' HG2' ' A' ' 32' ' ' LYS . 2.3 mt -65.03 120.53 12.8 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 120.805 0.336 . . . . 0.0 111.205 178.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.89 -21.12 16.49 Favored Glycine 0 C--N 1.339 0.719 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.849 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.0 p -89.86 -179.73 5.79 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.235 0.614 . . . . 0.0 109.816 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -80.14 -17.08 53.47 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.729 0.412 . . . . 0.0 110.408 173.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -71.3 -33.21 69.5 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.984 0.914 . . . . 0.0 110.47 177.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -151.32 85.99 4.86 Favored Pre-proline 0 N--CA 1.476 0.85 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 172.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.4 150.11 87.37 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 122.352 2.035 . . . . 0.0 112.071 173.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.524 ' HG2' HD21 ' A' ' 25' ' ' LEU . 55.8 mtmt -60.46 -37.84 82.3 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.294 172.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -65.99 -46.34 78.36 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.505 0.722 . . . . 0.0 109.871 -176.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.37 -40.29 93.76 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.422 1.089 . . . . 0.0 111.123 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.464 HD11 ' HB2' ' A' ' 73' ' ' TYR . 53.9 tp -62.46 -52.94 61.55 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.996 176.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.5 mt -55.11 -37.91 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 124.185 0.994 . . . . 0.0 111.294 176.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 86.9 m -66.57 -47.81 71.61 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.488 0.715 . . . . 0.0 110.303 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -56.98 -42.7 80.69 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.031 0.532 . . . . 0.0 110.299 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.56 -47.69 82.73 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.074 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.422 ' HA ' HD21 ' A' ' 48' ' ' LEU . 1.5 pt20 -74.03 -18.42 60.84 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -84.19 -40.45 18.13 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 175.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -96.23 -20.35 18.63 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -172.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.492 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . . . -90.07 170.47 10.3 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.779 0.8 . . . . 0.0 112.366 174.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -86.54 158.35 19.55 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 113.983 -1.462 . . . . 0.0 108.741 164.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.0 -28.85 64.79 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.532 0.733 . . . . 0.0 112.678 -169.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.53 -40.86 69.07 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.382 1.073 . . . . 0.0 112.25 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -63.38 -39.69 95.2 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.556 -176.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.462 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.3 mm? -79.21 -27.82 42.54 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.212 -177.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -76.37 -18.25 58.98 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.002 0.521 . . . . 0.0 110.738 173.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -78.51 -60.41 2.38 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 171.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -82.71 9.35 9.81 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.473 0.709 . . . . 0.0 112.433 -175.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? 65.34 21.56 11.97 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 124.326 1.05 . . . . 0.0 111.682 174.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.462 ' HB2' HD12 ' A' ' 48' ' ' LEU . 26.2 mt -86.01 5.96 30.99 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 123.881 0.872 . . . . 0.0 111.211 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.9 t -85.34 -6.46 59.23 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.185 0.594 . . . . 0.0 112.371 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.83 -152.36 7.44 Favored Glycine 0 C--N 1.354 1.545 0 N-CA-C 112.392 -0.283 . . . . 0.0 112.392 176.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.5 t -90.61 127.08 36.16 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 174.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.45 ' HA ' HD12 ' A' ' 60' ' ' ILE . 4.9 m-20 -54.03 -28.24 37.15 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 124.08 0.952 . . . . 0.0 113.344 -170.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -59.8 -55.36 35.23 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 123.564 0.746 . . . . 0.0 110.911 176.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 96.0 p -68.19 -43.51 77.96 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.055 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 57' ' ' ASN . 69.7 mt -54.24 -52.07 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.827 0.851 . . . . 0.0 111.372 -177.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.1 ptt85 -70.96 -27.1 63.49 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.443 0.464 . . . . 0.0 110.728 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -72.05 -33.29 67.84 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 122.318 0.247 . . . . 0.0 111.365 178.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -86.33 -37.54 18.38 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.675 0.39 . . . . 0.0 110.611 179.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 87.6 mtt-85 -97.89 125.12 42.63 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.195 0.598 . . . . 0.0 110.755 -178.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -78.23 -178.01 5.44 Favored 'General case' 0 C--O 1.248 1.009 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.344 171.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.424 ' O ' HG13 ' A' ' 70' ' ' ILE . 62.2 m -56.89 -43.45 81.34 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.12 -176.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.8 m -54.45 -43.05 71.31 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 124.093 0.957 . . . . 0.0 113.536 -171.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -63.47 -39.45 94.49 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.545 0.738 . . . . 0.0 111.676 178.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.457 ' HB3' HD21 ' A' ' 35' ' ' LEU . 58.1 mt -81.77 -29.98 32.55 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.107 -173.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.425 HG23 ' HD2' ' A' ' 74' ' ' LYS . 77.3 mt -59.22 -57.27 12.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 167.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.9 -33.65 70.77 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.445 1.098 . . . . 0.0 111.685 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.82 -48.28 74.96 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.174 0.59 . . . . 0.0 111.016 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.464 ' HB2' HD11 ' A' ' 35' ' ' LEU . 71.9 t80 -68.02 -33.43 74.59 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 122.919 0.488 . . . . 0.0 111.358 -179.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.425 ' HD2' HG23 ' A' ' 70' ' ' ILE . 59.4 mtpt -66.45 -55.89 13.56 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -55.87 -32.82 64.02 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.083 0.953 . . . . 0.0 111.251 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.492 ' CE1' ' HB3' ' A' ' 43' ' ' ALA . 5.8 t80 -66.16 -51.39 58.31 Favored 'General case' 0 C--O 1.253 1.288 0 C-N-CA 125.207 1.403 . . . . 0.0 111.309 178.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 44.2 t -66.42 -44.54 82.63 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.686 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -66.48 -29.04 69.07 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.017 0.927 . . . . 0.0 110.868 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -67.55 -35.26 78.71 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.878 0.871 . . . . 0.0 110.081 174.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.126 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.116 177.448 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.423 ' SD ' ' HD3' ' A' ' 41' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.238 0.457 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.73 42.7 97.05 Favored Glycine 0 CA--C 1.528 0.854 0 O-C-N 124.009 0.818 . . . . 0.0 114.725 173.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.2 t -79.1 93.65 5.2 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 172.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -103.45 -178.77 3.76 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.19 0.596 . . . . 0.0 110.271 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.4 m -104.65 164.56 11.68 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.644 0.778 . . . . 0.0 109.484 166.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.5 mm -55.54 -42.3 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 123.81 0.844 . . . . 0.0 111.092 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.568 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 40.1 mt-10 -70.86 -35.76 72.53 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.153 -175.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -62.56 -42.96 99.87 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-O 121.414 0.626 . . . . 0.0 109.529 173.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.3 t -60.92 -57.52 11.7 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.722 178.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.568 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.9 pt-20 -63.97 -39.1 93.37 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.247 0.619 . . . . 0.0 112.318 -172.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -78.52 -37.0 44.12 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.299 -175.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -100.69 -5.03 27.11 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -173.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.493 HD23 ' HG2' ' A' ' 32' ' ' LYS . 3.4 mt -63.24 117.49 6.65 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-N 118.779 0.718 . . . . 0.0 111.37 -179.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.15 -17.39 22.01 Favored Glycine 0 C--N 1.344 1.017 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.559 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.8 p -83.15 -176.44 6.33 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 122.89 0.476 . . . . 0.0 109.997 176.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -90.19 -4.34 57.3 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.611 0.364 . . . . 0.0 110.571 171.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -79.67 -41.99 25.71 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.398 0.679 . . . . 0.0 109.692 173.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.68 85.81 29.67 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 172.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -69.08 145.7 61.93 Favored 'Trans proline' 0 C--N 1.367 1.504 0 C-N-CA 121.776 1.651 . . . . 0.0 111.112 174.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.493 ' HG2' HD23 ' A' ' 25' ' ' LEU . 54.4 mtmt -58.16 -38.46 76.68 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.698 0.799 . . . . 0.0 111.086 -178.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -54.33 -48.42 71.41 Favored 'General case' 0 N--CA 1.478 0.925 0 O-C-N 123.857 0.723 . . . . 0.0 111.513 175.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -69.85 -29.82 67.15 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.385 0.674 . . . . 0.0 111.535 -172.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.466 HD12 ' HB3' ' A' ' 69' ' ' LEU . 2.4 tm? -62.96 -52.62 62.3 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 172.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.454 HG12 HD23 ' A' ' 53' ' ' LEU . 70.5 mt -56.43 -39.28 60.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 CA-C-N 114.677 -1.147 . . . . 0.0 111.131 176.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 76.1 m -64.76 -48.82 73.14 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.853 0.861 . . . . 0.0 109.99 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -53.85 -48.65 69.78 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.069 0.548 . . . . 0.0 110.444 177.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.72 -39.55 93.84 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.632 -174.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -77.35 -18.25 57.56 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.896 -0.502 . . . . 0.0 112.088 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HD3' ' SD ' ' A' ' 13' ' ' MET . 31.0 mtpp -84.59 -34.81 23.09 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.536 0.334 . . . . 0.0 111.872 173.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -99.25 -22.28 15.69 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -172.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.91 179.62 4.28 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.128 0.571 . . . . 0.0 111.43 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -100.33 161.51 13.55 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.195 0.998 . . . . 0.0 109.843 175.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.48 -37.05 36.53 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 124.327 1.051 . . . . 0.0 113.601 -172.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.13 -42.38 80.81 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.019 0.928 . . . . 0.0 112.137 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -63.98 -39.42 94.08 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.487 -176.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.444 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.7 mm? -76.21 -34.23 59.26 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.711 -178.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -70.89 -22.27 62.29 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 116.82 -0.173 . . . . 0.0 111.069 175.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -73.82 -57.95 3.63 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.681 0.792 . . . . 0.0 109.978 173.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -85.72 9.77 15.43 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -173.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.474 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 11.2 mmpt? 70.05 19.99 6.63 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 124.739 1.215 . . . . 0.0 111.87 174.07 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.465 ' HA ' HD11 ' A' ' 60' ' ' ILE . 22.2 mt -90.3 4.08 51.78 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 124.461 1.104 . . . . 0.0 111.862 -178.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.3 t -78.37 -20.14 51.88 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -177.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -83.37 -154.04 16.18 Favored Glycine 0 C--N 1.35 1.356 0 O-C-N 123.164 0.29 . . . . 0.0 113.698 -173.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.422 ' O ' HG13 ' A' ' 60' ' ' ILE . 2.6 t -78.28 123.28 26.78 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 171.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.529 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.8 m-20 -54.31 -26.79 31.43 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.091 0.956 . . . . 0.0 112.911 -175.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -55.76 -56.61 18.47 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.436 0.695 . . . . 0.0 110.83 172.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.1 m -72.24 -29.17 63.67 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.332 -177.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 57' ' ' ASN . 62.7 mt -66.81 -51.11 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 123.141 0.276 . . . . 0.0 110.56 -178.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 12.5 ptt180 -73.39 -25.57 60.62 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 117.786 0.266 . . . . 0.0 111.426 178.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -67.93 -45.57 73.94 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.768 0.427 . . . . 0.0 111.1 174.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.15 -40.43 23.99 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.449 0.699 . . . . 0.0 110.883 -176.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -105.27 116.54 32.12 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.014 -175.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -77.56 -174.16 3.27 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.184 0.593 . . . . 0.0 110.668 177.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.425 ' O ' HG13 ' A' ' 70' ' ' ILE . 22.5 p -49.71 -49.23 48.64 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.168 0.987 . . . . 0.0 111.946 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.1 m -53.72 -41.63 67.21 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.9 1.28 . . . . 0.0 113.114 -172.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -62.01 -46.91 87.12 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 123.66 0.6 . . . . 0.0 110.404 177.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.466 ' HB3' HD12 ' A' ' 35' ' ' LEU . 57.0 mt -76.37 -25.83 55.03 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.524 -173.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 66' ' ' CYS . 73.0 mt -66.76 -52.89 40.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 171.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.62 -29.92 69.54 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.862 0.865 . . . . 0.0 111.962 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.42 -51.12 31.77 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.315 0.646 . . . . 0.0 110.961 177.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -65.44 -37.14 86.0 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.459 0.703 . . . . 0.0 110.369 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.457 ' O ' ' HG2' ' A' ' 78' ' ' GLU . 57.2 mtpt -60.95 -59.73 4.91 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.797 0.839 . . . . 0.0 109.488 176.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -56.28 -33.93 65.98 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 123.955 0.785 . . . . 0.0 111.287 -176.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -64.83 -56.5 13.07 Favored 'General case' 0 C--O 1.252 1.187 0 C-N-CA 123.86 0.864 . . . . 0.0 110.768 177.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 74.4 m -62.67 -34.71 77.67 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.023 -178.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 16.0 mm-40 -81.64 -30.11 32.92 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.713 0.805 . . . . 0.0 110.773 -178.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -71.2 -22.15 62.05 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.018 0.527 . . . . 0.0 110.117 175.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.189 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.24 178.227 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.38 46.65 68.67 Favored Glycine 0 CA--C 1.526 0.743 0 O-C-N 123.332 0.395 . . . . 0.0 113.912 175.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.5 p -84.28 88.73 7.25 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 174.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 -90.54 171.73 9.2 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.355 0.662 . . . . 0.0 111.8 -171.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.2 m -78.05 158.47 29.18 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.578 166.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.454 HD13 ' SG ' ' A' ' 77' ' ' CYS . 49.6 mm -60.15 -42.48 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 174.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.605 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 43.8 mt-10 -70.75 -31.61 68.49 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.148 -178.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -63.81 -44.74 92.37 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.3 t -59.75 -62.09 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.539 177.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.605 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.5 pt-20 -59.76 -40.15 87.19 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -171.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -76.34 -45.3 32.76 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.584 -175.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -90.8 -2.05 57.81 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 118.913 -0.565 . . . . 0.0 111.845 -173.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.92 112.85 2.22 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 118.345 0.52 . . . . 0.0 111.064 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.84 -9.56 23.4 Favored Glycine 0 C--N 1.345 1.047 0 CA-C-N 115.744 -0.662 . . . . 0.0 113.543 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.1 p -91.08 -174.64 4.05 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 117.67 0.735 . . . . 0.0 111.268 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -74.57 -25.64 59.42 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.544 0.738 . . . . 0.0 110.938 170.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -77.08 -39.41 49.81 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.727 0.811 . . . . 0.0 111.378 -177.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.443 HD11 HD23 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -141.46 80.2 16.56 Favored Pre-proline 0 CA--C 1.545 0.781 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 177.411 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -59.78 153.61 55.25 Favored 'Trans proline' 0 C--N 1.372 1.801 0 C-N-CA 121.928 1.752 . . . . 0.0 112.091 170.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -59.13 -41.1 87.45 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.961 173.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.481 ' HB2' ' HD2' ' A' ' 61' ' ' ARG . 3.7 t30 -66.06 -41.52 90.66 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 115.08 -0.963 . . . . 0.0 110.413 -176.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.2 -39.12 91.68 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.714 1.206 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.515 HD13 ' HB3' ' A' ' 69' ' ' LEU . 2.7 tm? -64.61 -49.87 69.39 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.8 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.8 mt -58.99 -41.95 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 C-N-CA 124.109 0.964 . . . . 0.0 111.163 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.3 m -59.75 -49.04 79.27 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.729 178.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -54.67 -49.74 69.9 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.863 0.465 . . . . 0.0 110.755 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 83.7 mt -57.73 -42.87 84.74 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.012 -175.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -79.92 -21.92 43.35 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -75.1 -34.26 61.7 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.698 0.399 . . . . 0.0 111.681 176.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -95.69 -33.24 12.39 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.43 155.64 19.57 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -83.6 161.49 21.12 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.012 168.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.73 -32.86 14.55 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.309 1.044 . . . . 0.0 113.785 -168.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.74 -43.25 65.6 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 124.372 1.069 . . . . 0.0 112.184 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -67.31 -40.4 85.99 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.507 -176.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.41 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.3 mm? -75.64 -28.41 58.78 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.689 -178.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -77.54 -19.99 54.89 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.153 0.581 . . . . 0.0 110.511 175.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -75.45 -56.09 5.04 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.878 0.471 . . . . 0.0 110.702 171.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -85.42 4.56 34.94 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -175.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? 67.04 21.42 10.23 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 124.702 1.201 . . . . 0.0 111.152 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.424 ' HA ' HD11 ' A' ' 60' ' ' ILE . 19.9 mt -83.17 1.65 39.5 Favored 'General case' 0 CA--C 1.559 1.315 0 C-N-CA 124.032 0.933 . . . . 0.0 110.652 177.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -71.1 -22.08 62.14 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.182 0.993 . . . . 0.0 112.699 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -77.54 -168.04 30.15 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-O 120.316 -0.158 . . . . 0.0 113.042 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 t -70.9 130.04 40.6 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 117.099 0.449 . . . . 0.0 110.37 174.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.598 ' HA ' HD12 ' A' ' 60' ' ' ILE . 7.3 m-20 -55.38 -25.89 38.08 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 124.323 1.049 . . . . 0.0 113.748 -173.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -63.84 -50.91 67.02 Favored 'General case' 0 C--O 1.254 1.313 0 C-N-CA 123.465 0.706 . . . . 0.0 111.124 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 m -66.75 -34.76 78.56 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.948 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 57' ' ' ASN . 52.1 mt -65.94 -55.16 20.58 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.973 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.817 -178.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.481 ' HD2' ' HB2' ' A' ' 33' ' ' ASN . 2.5 ptm180 -60.92 -30.34 70.14 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 122.755 0.422 . . . . 0.0 111.342 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -70.11 -48.68 56.56 Favored 'General case' 0 CA--C 1.556 1.191 0 O-C-N 123.221 0.325 . . . . 0.0 110.785 178.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.435 HD21 ' N ' ' A' ' 63' ' ' ASN . 0.8 OUTLIER -82.67 -46.65 12.96 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.033 0.533 . . . . 0.0 110.932 -172.555 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.417 ' HD2' ' N ' ' A' ' 64' ' ' ARG . 4.2 mpt_? -79.29 123.81 27.8 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.215 1.006 . . . . 0.0 109.001 177.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -88.49 -176.03 5.17 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.257 178.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.467 ' O ' HG13 ' A' ' 70' ' ' ILE . 24.3 p -54.29 -49.59 69.28 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.6 0.76 . . . . 0.0 111.444 -178.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.9 m -57.62 -39.77 77.65 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.78 0.832 . . . . 0.0 113.224 -172.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -41.24 97.82 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.122 0.487 . . . . 0.0 111.599 176.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.515 ' HB3' HD13 ' A' ' 35' ' ' LEU . 65.2 mt -77.12 -31.35 55.69 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.785 -175.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.494 HG21 ' HE2' ' A' ' 74' ' ' LYS . 25.3 mt -68.44 -44.25 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 173.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.32 -38.37 86.61 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.89 178.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.31 -43.26 70.7 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.604 0.762 . . . . 0.0 111.889 178.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -67.0 -42.33 85.17 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 120.929 0.395 . . . . 0.0 110.309 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.494 ' HE2' HG21 ' A' ' 70' ' ' ILE . 57.7 mtmt -60.8 -52.03 66.79 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.634 173.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -56.17 -31.79 63.73 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.6 0.76 . . . . 0.0 111.166 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -75.44 -48.57 22.16 Favored 'General case' 0 C--O 1.254 1.293 0 C-N-CA 123.906 0.883 . . . . 0.0 112.316 -177.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.454 ' SG ' HD13 ' A' ' 18' ' ' ILE . 30.8 p -68.68 -37.43 79.58 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 121.118 0.485 . . . . 0.0 110.528 178.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -72.46 -25.02 61.29 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.541 1.137 . . . . 0.0 110.925 175.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -65.52 -39.02 91.33 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.19 0.596 . . . . 0.0 109.542 172.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.999 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.506 177.173 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.241 0.651 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.15 45.94 37.75 Favored Glycine 0 C--N 1.335 0.496 0 CA-C-N 116.094 -0.503 . . . . 0.0 113.961 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 80.1 m -87.83 97.98 11.22 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 168.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 -102.21 172.81 6.68 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.626 0.77 . . . . 0.0 110.82 -173.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.4 m -84.74 160.84 20.2 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.1 0.56 . . . . 0.0 109.718 167.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.488 HD12 ' HG2' ' A' ' 74' ' ' LYS . 47.9 mm -60.77 -48.36 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 123.505 0.722 . . . . 0.0 110.398 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.555 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 49.0 mt-10 -70.9 -23.73 62.34 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.831 -178.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -67.67 -46.88 71.07 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 172.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.9 t -54.8 -63.04 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 123.449 0.7 . . . . 0.0 110.377 177.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.555 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 11.9 pt-20 -64.04 -44.24 93.13 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -171.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -79.8 -24.05 41.69 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -172.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -104.09 -3.33 24.65 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-O 118.726 -0.654 . . . . 0.0 111.768 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.441 HD23 ' HG2' ' A' ' 32' ' ' LYS . 6.8 mt -58.95 118.12 5.43 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 119.061 0.846 . . . . 0.0 111.533 178.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.57 -14.85 20.08 Favored Glycine 0 C--N 1.344 1.004 0 O-C-N 123.759 0.662 . . . . 0.0 112.823 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.8 p -91.13 -175.07 4.18 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.862 0.465 . . . . 0.0 111.053 -176.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -84.19 -21.85 31.14 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.796 0.438 . . . . 0.0 110.082 171.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -70.46 -37.58 74.33 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.861 0.865 . . . . 0.0 110.513 176.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.5 83.51 10.72 Favored Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 175.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -69.01 139.09 41.88 Favored 'Trans proline' 0 C--N 1.369 1.632 0 C-N-CA 122.233 1.956 . . . . 0.0 110.772 173.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.441 ' HG2' HD23 ' A' ' 25' ' ' LEU . 56.0 mtmt -56.28 -42.65 77.83 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.048 0.939 . . . . 0.0 111.596 -177.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -51.66 -46.8 63.89 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.799 0.84 . . . . 0.0 110.992 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -72.18 -30.94 65.46 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.75 0.82 . . . . 0.0 111.588 -171.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.6 -51.53 66.94 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 173.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.5 mt -59.73 -37.71 72.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.583 178.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 89.4 m -60.86 -53.56 55.8 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.199 1.0 . . . . 0.0 110.545 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -54.66 -46.67 74.06 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.57 0.748 . . . . 0.0 110.137 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.5 mp -58.84 -46.32 87.98 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.64 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.455 ' HA ' HD22 ' A' ' 48' ' ' LEU . 1.6 pt20 -78.43 -20.26 51.46 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 118.162 0.437 . . . . 0.0 112.161 -177.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -74.62 -40.35 61.59 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-O 120.733 0.302 . . . . 0.0 111.042 175.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -92.37 -32.87 14.8 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -175.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.93 162.69 14.65 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -176.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.35 157.86 28.98 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 114.141 -1.39 . . . . 0.0 109.725 176.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.13 -34.05 59.35 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.496 0.718 . . . . 0.0 111.595 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.4 -40.73 78.88 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.217 1.007 . . . . 0.0 112.206 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -68.19 -41.41 81.45 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.684 0.794 . . . . 0.0 110.72 -176.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.483 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.7 mm? -72.91 -29.34 63.06 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.597 178.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -78.92 -17.88 54.76 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 122.221 -0.299 . . . . 0.0 111.204 174.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -77.79 -48.42 16.6 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.379 0.671 . . . . 0.0 110.661 173.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 92.8 m95 -95.35 4.99 52.84 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.473 0.709 . . . . 0.0 111.946 -177.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm 68.28 24.1 7.54 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 125.263 1.425 . . . . 0.0 112.191 172.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.483 ' HB2' HD12 ' A' ' 48' ' ' LEU . 19.6 mt -88.31 17.7 5.01 Favored 'General case' 0 CA--C 1.561 1.404 0 C-N-CA 124.783 1.233 . . . . 0.0 110.948 176.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -81.88 -7.81 59.63 Favored 'General case' 0 CA--C 1.561 1.372 0 C-N-CA 124.091 0.956 . . . . 0.0 112.8 -175.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -87.41 -160.56 35.51 Favored Glycine 0 N--CA 1.482 1.723 0 CA-C-O 120.059 -0.3 . . . . 0.0 112.567 177.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.8 t -82.42 135.76 35.08 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 172.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -58.91 -25.26 63.25 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.216 1.006 . . . . 0.0 113.074 -173.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -58.4 -54.33 48.23 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 123.569 0.543 . . . . 0.0 109.874 172.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.0 m -68.2 -29.63 68.52 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.543 178.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' A' ' 64' ' ' ARG . 60.8 mt -74.25 -44.41 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 117.878 0.308 . . . . 0.0 110.934 -176.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -69.32 -24.91 63.99 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.067 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -76.94 -47.49 20.82 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.98 0.912 . . . . 0.0 111.92 177.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -92.86 -40.62 10.52 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.47 0.708 . . . . 0.0 111.483 -169.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.406 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 4.4 mpt_? -85.38 156.07 21.03 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -96.84 169.81 9.6 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 123.64 0.776 . . . . 0.0 109.817 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.477 ' O ' HG13 ' A' ' 70' ' ' ILE . 27.8 p -58.85 -36.42 74.55 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 123.67 0.606 . . . . 0.0 110.863 177.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.5 m -51.72 -42.7 62.46 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 124.359 1.064 . . . . 0.0 112.969 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -60.9 -43.43 98.54 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.041 0.536 . . . . 0.0 110.875 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.5 mp -69.98 -42.01 73.67 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.504 -176.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.489 HG22 ' HE2' ' A' ' 74' ' ' LYS . 20.6 mt -64.7 -50.23 76.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.53 -40.38 91.29 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.512 1.125 . . . . 0.0 111.715 -177.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.25 -44.38 75.75 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.399 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -63.16 -43.21 98.93 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 122.997 0.519 . . . . 0.0 110.572 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.489 ' HE2' HG22 ' A' ' 70' ' ' ILE . 57.3 mtmt -60.92 -57.9 10.69 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.922 177.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.441 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 26.3 t70 -54.67 -35.23 63.32 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 124.278 0.986 . . . . 0.0 111.176 -177.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -69.93 -48.98 56.35 Favored 'General case' 0 C--O 1.254 1.299 0 C-N-CA 124.018 0.927 . . . . 0.0 111.94 -177.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 42.3 t -65.81 -33.66 76.36 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.835 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -81.28 -21.49 39.31 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.001 177.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.441 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 0.1 OUTLIER -69.89 -34.91 74.15 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.482 0.713 . . . . 0.0 109.479 176.076 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 1.387 0 C-N-CA 120.755 -0.735 . . . . 0.0 111.484 176.262 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptm . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 120.824 0.345 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -153.86 94.8 1.8 Allowed 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 173.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -63.91 -12.08 33.72 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -167.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 61.0 p -74.46 1.88 10.84 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 123.511 0.725 . . . . 0.0 112.121 173.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -72.08 -16.53 62.02 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.356 0.662 . . . . 0.0 110.895 174.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -60.12 -17.03 37.23 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.571 0.748 . . . . 0.0 111.686 -176.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.84 -28.32 2.96 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.677 0.791 . . . . 0.0 110.11 172.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.535 ' HZ3' ' HA3' ' A' ' 88' ' ' GLY . 13.3 mptt -101.15 25.66 7.92 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.889 -0.507 . . . . 0.0 112.237 -176.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' HG2' ' HD3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -72.86 158.06 36.26 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 121.097 0.475 . . . . 0.0 111.065 176.492 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -94.33 156.38 16.53 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.739 0.816 . . . . 0.0 109.605 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.57 24.72 15.16 Favored Glycine 0 C--N 1.339 0.742 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.44 ' HD3' ' HG2' ' A' ' 9' ' ' GLU . 12.9 mmmm -77.84 85.16 4.12 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 175.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.13 162.86 26.33 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 114.041 -1.436 . . . . 0.0 110.111 -176.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.414 ' HA2' ' CE2' ' A' ' 16' ' ' TRP . . . 81.73 10.86 83.68 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 115.189 0.836 . . . . 0.0 115.189 170.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -85.1 73.5 10.64 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 175.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.414 ' CE2' ' HA2' ' A' ' 14' ' ' GLY . 4.3 m-90 -84.57 168.04 15.74 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 124.256 1.023 . . . . 0.0 110.79 -176.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.5 m -72.98 154.95 40.31 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.621 168.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.525 HD12 ' HG2' ' A' ' 74' ' ' LYS . 51.3 mm -62.1 -46.17 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 122.618 0.367 . . . . 0.0 110.411 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.545 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 48.5 mt-10 -69.49 -28.58 66.19 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.811 -179.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.405 ' O ' ' HB2' ' A' ' 24' ' ' TYR . 56.4 t60 -62.92 -47.0 85.14 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 172.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.8 t -57.28 -64.53 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.256 177.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.545 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 11.1 pt-20 -64.23 -41.86 96.82 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -168.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -77.68 -37.14 50.33 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.383 0.427 . . . . 0.0 110.715 -174.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.405 ' HB2' ' O ' ' A' ' 20' ' ' HIS . 6.1 m-85 -96.13 -1.87 47.63 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 118.399 -0.81 . . . . 0.0 111.921 -176.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.0 mt -58.12 111.79 1.31 Allowed 'General case' 0 N--CA 1.486 1.339 0 CA-C-N 118.828 0.74 . . . . 0.0 110.552 176.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.78 2.78 39.96 Favored Glycine 0 CA--C 1.533 1.185 0 CA-C-N 115.077 -0.965 . . . . 0.0 114.238 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.3 p -93.49 -178.28 4.67 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 117.95 0.875 . . . . 0.0 110.535 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -77.31 -20.71 54.56 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.933 0.493 . . . . 0.0 110.608 171.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -79.47 -46.0 18.3 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.065 0.946 . . . . 0.0 110.697 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.13 81.19 45.39 Favored Pre-proline 0 CA--C 1.546 0.82 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 175.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.29 146.9 87.18 Favored 'Trans proline' 0 C--N 1.364 1.343 0 C-N-CA 121.971 1.781 . . . . 0.0 111.319 172.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -56.65 -38.52 72.29 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.212 1.005 . . . . 0.0 111.571 -177.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -58.12 -41.42 83.57 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 123.887 0.742 . . . . 0.0 111.618 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.95 -29.76 65.86 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.572 0.749 . . . . 0.0 112.308 -176.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -66.49 -49.93 64.96 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 173.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.0 mt -57.24 -39.78 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.691 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.9 m -64.84 -50.94 64.67 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 123.973 0.909 . . . . 0.0 110.595 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -54.56 -46.72 73.74 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.326 0.65 . . . . 0.0 110.243 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mp -61.64 -46.2 90.79 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.558 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.45 ' HA ' HD22 ' A' ' 48' ' ' LEU . 1.6 pt20 -77.21 -17.71 58.29 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.791 -0.568 . . . . 0.0 112.394 -178.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -77.31 -55.25 5.56 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.711 0.291 . . . . 0.0 110.319 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -80.53 -46.45 15.78 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.245 0.618 . . . . 0.0 112.234 -170.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.35 162.46 27.86 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -173.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.43 158.07 35.68 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 114.7 -1.136 . . . . 0.0 109.841 173.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.36 -31.13 67.33 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.417 0.687 . . . . 0.0 112.008 -176.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.56 -41.55 81.26 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.126 0.97 . . . . 0.0 112.087 177.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -64.39 -45.44 87.65 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.785 0.834 . . . . 0.0 110.487 -175.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.513 HD13 ' HB2' ' A' ' 53' ' ' LEU . 2.2 mm? -71.23 -33.16 69.62 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.833 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -68.75 -26.31 65.17 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 122.429 -0.169 . . . . 0.0 111.002 173.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -75.87 -38.17 58.18 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.098 0.559 . . . . 0.0 111.162 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -100.1 6.41 44.93 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.688 ' HB2' ' HD2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER 63.9 24.44 13.69 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 124.668 1.187 . . . . 0.0 111.508 178.263 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.513 ' HB2' HD13 ' A' ' 48' ' ' LEU . 13.8 mt -92.44 11.53 25.87 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 123.89 0.876 . . . . 0.0 110.496 176.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.3 t -80.03 -8.99 59.66 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 124.215 1.006 . . . . 0.0 113.176 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -89.97 -143.06 9.99 Favored Glycine 0 N--CA 1.479 1.516 0 CA-C-N 117.757 0.253 . . . . 0.0 113.716 -176.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.1 t -93.87 130.75 39.8 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.7 0.8 . . . . 0.0 109.338 174.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.418 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.5 m-20 -53.55 -25.07 15.47 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 124.124 0.969 . . . . 0.0 113.504 -172.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -63.89 -57.36 10.04 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 123.388 0.43 . . . . 0.0 109.958 175.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.1 t -67.89 -26.65 66.11 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.549 0.34 . . . . 0.0 110.726 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 57' ' ' ASN . 87.0 mt -68.21 -48.47 73.54 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 C-N-CA 122.627 0.371 . . . . 0.0 110.462 178.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 16.2 ptm180 -73.1 -19.19 61.2 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 118.835 0.743 . . . . 0.0 111.569 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -82.4 -37.75 25.08 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.126 0.57 . . . . 0.0 112.35 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -101.6 -29.87 11.7 Favored 'General case' 0 N--CA 1.498 1.938 0 C-N-CA 123.034 0.534 . . . . 0.0 112.164 -173.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.688 ' HD2' ' HB2' ' A' ' 52' ' ' LYS . 3.9 mmp_? -100.42 109.9 22.07 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.736 0.815 . . . . 0.0 108.93 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -78.29 179.93 6.64 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.179 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.471 ' O ' HG13 ' A' ' 70' ' ' ILE . 17.0 p -54.8 -41.9 71.16 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.218 -177.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.3 m -47.59 -44.7 26.67 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.724 1.21 . . . . 0.0 112.672 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -64.28 -45.47 87.89 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.952 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.0 mp -71.02 -36.13 72.28 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 114.803 -1.09 . . . . 0.0 112.003 -176.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.569 HG23 ' HE2' ' A' ' 74' ' ' LYS . 41.9 mt -70.57 -53.28 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 -178.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.24 -41.29 92.86 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.865 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.13 -54.77 42.95 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.14 0.576 . . . . 0.0 112.201 173.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -62.52 -41.0 98.56 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.966 0.507 . . . . 0.0 110.964 -175.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.569 ' HE2' HG23 ' A' ' 70' ' ' ILE . 55.1 mtmt -61.75 -58.01 9.68 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.806 178.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -60.3 -25.07 65.46 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.509 0.723 . . . . 0.0 112.268 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -69.0 -55.42 10.91 Favored 'General case' 0 C--O 1.26 1.646 0 C-N-CA 123.643 0.777 . . . . 0.0 110.683 176.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 64.3 m -64.53 -38.0 89.51 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.933 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -73.75 -26.36 60.63 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.577 1.151 . . . . 0.0 111.41 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -65.35 -35.17 80.16 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 122.978 0.511 . . . . 0.0 109.96 172.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.96 43.49 5.67 Favored Glycine 0 C--N 1.346 1.114 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.5 t -43.13 149.88 0.2 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.345 1.858 . . . . 0.0 115.377 -169.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.634 ' HA ' ' HG2' ' A' ' 87' ' ' GLN . 50.2 mtpt -98.86 29.7 3.68 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.975 -178.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.6 m -85.49 24.34 1.2 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.442 1.097 . . . . 0.0 111.717 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.84 32.52 63.73 Favored Glycine 0 C--N 1.348 1.24 0 O-C-N 123.212 0.32 . . . . 0.0 113.524 -178.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 79.5 mt -108.26 81.65 1.51 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 61.09 43.07 11.63 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.785 1.234 . . . . 0.0 109.85 -175.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.634 ' HG2' ' HA ' ' A' ' 82' ' ' LYS . 6.4 tp-100 -148.42 151.32 35.04 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.709 -1.132 . . . . 0.0 109.519 -174.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.535 ' HA3' ' HZ3' ' A' ' 8' ' ' LYS . . . . . . . . 0 C--N 1.347 1.164 0 CA-C-O 118.585 -1.119 . . . . 0.0 113.247 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 N--CA 1.485 1.313 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -108.61 87.75 2.57 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 123.865 0.866 . . . . 0.0 109.203 172.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.04 -29.58 70.93 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.063 0.945 . . . . 0.0 111.172 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.7 t -64.27 -53.67 45.32 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.408 0.683 . . . . 0.0 110.328 175.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.79 -8.72 30.54 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.267 1.027 . . . . 0.0 113.016 -174.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -71.23 -55.48 8.0 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-O 121.185 0.517 . . . . 0.0 109.996 173.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -83.08 -23.41 33.12 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.007 0.923 . . . . 0.0 110.791 -178.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -102.09 43.37 1.07 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.83 1.252 . . . . 0.0 108.466 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -65.77 118.82 10.18 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.602 -175.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -78.14 155.26 30.57 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 114.672 -1.149 . . . . 0.0 109.574 -177.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.22 40.76 3.41 Favored Glycine 0 C--N 1.34 0.779 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 -170.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.468 ' HG3' ' SG ' ' A' ' 15' ' ' CYS . 8.6 ptpp? -65.13 86.12 0.06 Allowed 'General case' 0 CA--C 1.549 0.925 0 CA-C-O 122.545 1.164 . . . . 0.0 109.525 178.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.1 ptm -73.31 119.51 17.64 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 114.148 -1.387 . . . . 0.0 111.035 -172.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.62 28.49 63.19 Favored Glycine 0 C--N 1.341 0.848 0 O-C-N 123.716 0.635 . . . . 0.0 114.518 172.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.468 ' SG ' ' HG3' ' A' ' 12' ' ' LYS . 26.4 p -83.72 91.4 7.49 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 171.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 -93.41 171.33 8.98 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.536 0.734 . . . . 0.0 109.965 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 m -84.61 159.15 20.68 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 165.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.9 mm -58.75 -43.22 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 123.154 0.582 . . . . 0.0 110.947 -176.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.569 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 40.8 mt-10 -72.52 -30.84 64.83 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.459 -177.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -62.39 -45.26 93.93 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 172.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.45 -58.87 4.32 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.528 178.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.569 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.8 pt-20 -65.67 -41.42 92.5 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -171.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -73.94 -33.08 63.79 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.842 0.457 . . . . 0.0 111.349 -175.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -99.54 -6.91 26.65 Favored 'General case' 0 CA--C 1.553 1.083 0 CA-C-O 119.019 -0.515 . . . . 0.0 112.033 -176.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 mt -58.88 119.17 6.71 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 118.59 0.632 . . . . 0.0 112.233 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.01 8.34 54.1 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-N 115.51 -0.768 . . . . 0.0 113.436 176.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.3 p -104.84 -178.25 3.6 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.834 0.454 . . . . 0.0 110.005 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -85.76 -0.15 54.47 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 122.837 0.455 . . . . 0.0 111.115 174.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -85.65 -56.63 3.41 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 170.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -127.28 89.85 50.48 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -70.38 148.78 61.79 Favored 'Trans proline' 0 C--N 1.37 1.671 0 C-N-CA 121.707 1.605 . . . . 0.0 110.724 172.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.516 ' HD3' ' SG ' ' A' ' 66' ' ' CYS . 38.2 mtmm -54.63 -37.74 66.0 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.963 0.905 . . . . 0.0 111.045 176.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -56.78 -45.01 82.41 Favored 'General case' 0 CA--C 1.549 0.917 0 O-C-N 124.116 0.885 . . . . 0.0 111.059 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.92 -34.18 74.95 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.417 1.087 . . . . 0.0 111.819 -175.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.492 HD13 HD11 ' A' ' 39' ' ' LEU . 2.9 tm? -62.66 -54.6 37.02 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 175.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.48 HG21 ' HB3' ' A' ' 53' ' ' LEU . 56.9 mt -55.78 -41.4 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.893 178.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.7 m -57.76 -49.67 75.79 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.511 1.124 . . . . 0.0 110.914 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.539 ' HH ' HD12 ' A' ' 85' ' ' LEU . 76.2 t80 -58.33 -48.53 80.24 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 123.59 0.556 . . . . 0.0 110.394 -177.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.492 HD11 HD13 ' A' ' 35' ' ' LEU . 10.8 mp -65.86 -38.67 89.44 Favored 'General case' 0 C--O 1.212 -0.903 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.176 -176.1 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.448 ' NE2' HG22 ' A' ' 36' ' ' ILE . 1.6 pt20 -76.99 -19.56 57.15 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 118.691 0.678 . . . . 0.0 111.652 179.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -78.77 -43.32 25.8 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.826 0.45 . . . . 0.0 111.452 172.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -89.58 -42.95 11.11 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -172.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.03 169.89 14.48 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.202 0.601 . . . . 0.0 111.974 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -90.87 159.15 16.39 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.138 0.975 . . . . 0.0 110.185 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.89 -35.14 57.54 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.248 1.019 . . . . 0.0 112.953 -169.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.93 -40.16 79.77 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.02 0.928 . . . . 0.0 112.458 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -65.61 -40.44 92.63 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.729 0.812 . . . . 0.0 110.241 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.47 HD11 ' HB2' ' A' ' 53' ' ' LEU . 1.4 mm? -74.63 -28.85 61.05 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.673 178.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -75.02 -18.73 60.3 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.884 0.474 . . . . 0.0 110.703 173.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -80.61 -43.29 20.78 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.227 0.611 . . . . 0.0 111.153 173.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -100.27 6.53 44.67 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -176.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.523 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 10.5 mmpt? 67.53 24.54 8.64 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 124.464 1.106 . . . . 0.0 112.421 176.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.516 ' HA ' HD11 ' A' ' 60' ' ' ILE . 31.1 mt -90.74 7.85 37.55 Favored 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 123.895 0.878 . . . . 0.0 111.172 177.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.5 t -85.2 -5.67 59.32 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.492 0.717 . . . . 0.0 112.467 -174.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -91.75 -158.05 34.21 Favored Glycine 0 N--CA 1.474 1.176 0 N-CA-C 112.588 -0.205 . . . . 0.0 112.588 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.2 t -76.78 127.81 33.44 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 170.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.546 ' HA ' HD12 ' A' ' 60' ' ' ILE . 2.6 m-20 -56.64 -27.1 57.79 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.177 0.991 . . . . 0.0 112.36 -171.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.512 ' HA ' ' HE ' ' A' ' 61' ' ' ARG . 31.4 ttpt -58.04 -56.15 25.68 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.028 0.931 . . . . 0.0 111.011 174.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.7 m -72.76 -27.5 62.05 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.972 -174.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' A' ' 57' ' ' ASN . 51.7 mt -68.11 -48.37 74.49 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.993 0 C-N-CA 122.862 0.465 . . . . 0.0 110.008 176.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.512 ' HE ' ' HA ' ' A' ' 58' ' ' LYS . 12.7 ptt180 -76.12 -16.6 59.86 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 111.782 0.289 . . . . 0.0 111.782 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -86.99 -37.02 17.91 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 122.747 0.419 . . . . 0.0 111.583 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -93.7 -45.29 7.76 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.013 0.525 . . . . 0.0 111.281 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.8 mmp_? -87.47 147.78 25.24 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -89.37 171.36 9.8 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.276 0.63 . . . . 0.0 111.191 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.516 ' SG ' ' HD3' ' A' ' 32' ' ' LYS . 76.0 m -57.23 -33.46 67.57 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.688 173.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.2 m -51.96 -45.25 64.32 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.701 1.2 . . . . 0.0 112.482 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -62.24 -42.31 99.2 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 123.562 0.539 . . . . 0.0 110.843 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.5 mp -70.26 -34.42 72.8 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 124.579 1.174 . . . . 0.0 111.988 -176.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.453 ' O ' ' HB2' ' A' ' 74' ' ' LYS . 38.0 mt -67.33 -51.89 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 176.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.68 -33.34 74.88 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 124.382 1.051 . . . . 0.0 111.814 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.3 -54.7 21.65 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.476 0.711 . . . . 0.0 111.193 177.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -63.25 -34.92 78.71 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.147 0.579 . . . . 0.0 110.235 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 22.7 ttmt -65.08 -58.58 5.68 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.02 -0.991 . . . . 0.0 108.885 -176.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 17.8 t70 -57.88 -31.65 66.92 Favored 'General case' 0 C--O 1.209 -1.076 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.924 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -63.65 -52.29 61.4 Favored 'General case' 0 C--O 1.259 1.598 0 C-N-CA 124.2 1.0 . . . . 0.0 111.426 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 42.4 t -66.73 -37.08 83.95 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.843 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 30.5 mm-40 -75.23 -23.77 57.61 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.672 0.789 . . . . 0.0 110.944 177.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.464 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 0.5 OUTLIER -66.78 -38.36 86.41 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.923 0.889 . . . . 0.0 109.088 175.743 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.71 43.12 2.97 Favored Glycine 0 C--N 1.347 1.147 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.273 176.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.1 t -42.66 136.67 2.45 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.467 1.507 . . . . 0.0 114.599 -171.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -92.73 17.78 9.85 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 114.198 -1.364 . . . . 0.0 111.191 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.1 t -63.21 -21.91 66.53 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.876 0.87 . . . . 0.0 112.195 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 117.88 14.39 6.72 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.2 -176.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.539 HD12 ' HH ' ' A' ' 38' ' ' TYR . 78.5 mt -79.54 74.31 6.2 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 121.503 0.668 . . . . 0.0 110.115 177.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -112.87 68.98 0.68 Allowed 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.501 HE22 ' HB3' ' A' ' 85' ' ' LEU . 2.1 mp0 -76.03 93.12 3.24 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 177.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.282 0 CA-C-O 118.743 -1.031 . . . . 0.0 111.221 -174.399 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 N--CA 1.485 1.308 0 N-CA-C 110.865 -0.05 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -76.06 92.46 3.19 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.763 0.825 . . . . 0.0 109.995 -175.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -101.76 -45.13 5.33 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.18 0.592 . . . . 0.0 112.522 -171.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.4 m -65.73 -45.56 82.21 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.365 -172.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -73.04 -15.03 61.52 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.71 0.804 . . . . 0.0 112.234 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -66.3 -48.77 69.27 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.038 0.535 . . . . 0.0 110.259 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.527 ' HG3' ' HD2' ' A' ' 8' ' ' LYS . 7.8 pt-20 -81.74 -33.15 31.17 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.548 176.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.527 ' HD2' ' HG3' ' A' ' 7' ' ' GLU . 0.7 OUTLIER -86.37 23.58 1.56 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.514 0.726 . . . . 0.0 111.681 177.424 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -78.45 146.47 34.46 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 118.205 0.457 . . . . 0.0 110.843 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -66.36 145.74 55.37 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.629 0.772 . . . . 0.0 109.752 175.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 116.56 34.42 1.3 Allowed Glycine 0 N--CA 1.473 1.127 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 -168.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -67.5 86.99 0.19 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.539 1.136 . . . . 0.0 110.543 177.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.98 158.25 27.99 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.45 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.45 47.41 70.27 Favored Glycine 0 C--N 1.339 0.698 0 O-C-N 123.675 0.61 . . . . 0.0 113.809 170.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.1 m -86.85 83.25 7.58 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 170.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -83.65 170.22 14.51 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.604 0.762 . . . . 0.0 110.569 -173.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.9 m -85.71 159.76 19.71 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 170.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.468 HD11 ' HG2' ' A' ' 74' ' ' LYS . 37.6 mm -56.21 -42.64 73.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.5 0.72 . . . . 0.0 111.223 -177.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.54 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 35.8 mt-10 -71.41 -34.25 70.18 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.721 0.808 . . . . 0.0 112.034 -177.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -66.27 -42.42 88.49 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 175.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.3 t -57.18 -62.96 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.114 175.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.54 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 13.8 pt-20 -63.33 -41.94 98.94 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -170.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -78.74 -33.58 46.52 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 122.623 0.369 . . . . 0.0 111.597 -174.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -95.37 -7.28 38.98 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 118.846 -0.597 . . . . 0.0 112.206 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 mt -58.53 120.09 8.21 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 118.643 0.656 . . . . 0.0 110.965 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.02 -4.48 41.64 Favored Glycine 0 C--N 1.343 0.918 0 CA-C-N 115.629 -0.714 . . . . 0.0 113.46 177.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.6 p -91.44 -178.62 5.16 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 117.125 0.463 . . . . 0.0 110.461 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -76.44 -25.12 54.06 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.97 0.508 . . . . 0.0 110.739 171.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -75.55 -40.9 56.17 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.608 0.763 . . . . 0.0 110.918 -177.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -137.94 86.42 18.01 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 176.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.47 153.9 71.84 Favored 'Trans proline' 0 C--N 1.367 1.515 0 C-N-CA 122.347 2.032 . . . . 0.0 112.125 172.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.411 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 14.5 mttm -58.69 -38.67 78.76 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.719 172.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -54.06 -52.56 60.49 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.983 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.99 -30.3 71.49 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.256 1.022 . . . . 0.0 112.639 -174.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -66.47 -54.78 20.21 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 173.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.428 HG21 ' NE2' ' A' ' 40' ' ' GLN . 60.9 mt -55.69 -34.38 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.834 176.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.429 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 91.8 m -67.5 -51.5 50.38 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 124.347 1.059 . . . . 0.0 110.576 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.414 ' HD2' HD12 ' A' ' 39' ' ' LEU . 69.6 t80 -54.22 -44.56 71.79 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.15 0.58 . . . . 0.0 110.123 178.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.414 HD12 ' HD2' ' A' ' 38' ' ' TYR . 10.7 mp -64.33 -46.43 83.51 Favored 'General case' 0 C--O 1.202 -1.445 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.574 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.452 ' HA ' HD23 ' A' ' 48' ' ' LEU . 1.2 pt20 -73.57 -18.91 61.01 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 119.289 0.95 . . . . 0.0 112.213 -178.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 37' ' ' THR . 29.8 mtpp -76.54 -55.85 5.15 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.543 0.337 . . . . 0.0 110.138 174.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -82.8 -39.11 22.2 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.105 0.562 . . . . 0.0 112.427 -172.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.18 152.15 27.87 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 121.13 0.49 . . . . 0.0 111.65 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -75.35 157.39 34.32 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.363 174.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.48 -32.3 49.58 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.78 0.832 . . . . 0.0 113.042 -171.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.37 -40.0 73.83 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.406 1.083 . . . . 0.0 112.566 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -68.24 -37.46 80.83 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.801 0.84 . . . . 0.0 110.698 -175.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 40' ' ' GLN . 2.0 mm? -74.87 -35.52 62.33 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.988 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -67.36 -26.02 66.27 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.712 173.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -70.39 -60.85 2.03 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.042 0.537 . . . . 0.0 110.039 175.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -84.42 9.93 12.05 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -174.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.37 22.13 8.06 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 124.652 1.181 . . . . 0.0 111.081 175.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.479 ' HA ' HD11 ' A' ' 60' ' ' ILE . 21.5 mt -88.22 5.2 42.74 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 124.226 1.011 . . . . 0.0 111.03 176.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.1 t -75.64 -11.33 59.99 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.825 0.85 . . . . 0.0 112.631 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.74 -161.62 30.48 Favored Glycine 0 C--N 1.354 1.542 0 N-CA-C 112.666 -0.174 . . . . 0.0 112.666 177.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.3 t -81.58 128.87 34.38 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 172.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.532 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.6 m-20 -49.84 -28.56 6.63 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 125.193 1.397 . . . . 0.0 113.656 -173.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -68.2 -52.1 38.17 Favored 'General case' 0 C--O 1.247 0.946 0 C-N-CA 123.313 0.645 . . . . 0.0 110.831 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.8 t -61.29 -42.53 98.8 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.411 176.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 57' ' ' ASN . 56.3 mt -60.55 -49.91 82.51 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.891 0 C-N-CA 123.296 0.638 . . . . 0.0 110.971 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.411 ' HB2' ' HB2' ' A' ' 32' ' ' LYS . 24.5 ptt180 -69.54 -23.75 63.62 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.717 0.407 . . . . 0.0 111.403 -176.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.561 ' HA ' ' HE2' ' A' ' 62' ' ' LYS . 10.2 mmpt? -79.02 -32.18 44.95 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 172.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -92.69 -21.64 19.88 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.481 0.712 . . . . 0.0 111.868 -175.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 78.1 mmt-85 -125.71 113.17 16.97 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 124.589 1.156 . . . . 0.0 108.447 -175.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -78.45 -175.53 4.32 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.295 0.638 . . . . 0.0 110.798 176.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.433 ' O ' HG13 ' A' ' 70' ' ' ILE . 12.6 p -48.66 -47.86 40.25 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.027 0.931 . . . . 0.0 112.682 -177.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.4 m -48.12 -44.72 32.19 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.496 1.118 . . . . 0.0 113.463 -174.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.421 HE21 ' HA ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -68.76 -38.42 80.07 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.815 0.446 . . . . 0.0 111.584 -178.786 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.5 mp -76.52 -30.44 57.18 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.816 0.847 . . . . 0.0 111.797 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.522 HG22 ' HE2' ' A' ' 74' ' ' LYS . 58.1 mt -68.48 -48.45 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 175.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.58 -46.49 86.82 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 114.575 -1.193 . . . . 0.0 110.974 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.32 -46.17 87.89 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.71 0.804 . . . . 0.0 112.48 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -68.17 -43.62 77.77 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.729 0.412 . . . . 0.0 110.75 -177.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.522 ' HE2' HG22 ' A' ' 70' ' ' ILE . 55.1 mtmt -57.01 -56.69 18.48 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 123.726 0.641 . . . . 0.0 109.619 174.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -54.23 -35.71 62.75 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 124.527 1.142 . . . . 0.0 111.498 -176.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -69.73 -51.69 32.0 Favored 'General case' 0 C--O 1.255 1.379 0 C-N-CA 123.848 0.859 . . . . 0.0 111.764 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.37 -28.32 67.02 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.288 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -82.82 -28.74 29.99 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.162 0.985 . . . . 0.0 110.184 177.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -64.56 -33.58 76.24 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.163 0.585 . . . . 0.0 109.496 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 86.53 43.28 6.21 Favored Glycine 0 C--N 1.347 1.156 0 C-N-CA 121.073 -0.584 . . . . 0.0 111.937 172.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.3 t -44.64 139.52 2.85 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.738 1.215 . . . . 0.0 113.622 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -97.39 24.88 6.09 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.955 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.8 t -83.98 59.65 5.38 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 123.942 0.897 . . . . 0.0 109.932 176.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.59 -28.0 3.2 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-N 115.175 -0.921 . . . . 0.0 114.145 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 44.1 mt -64.71 89.33 0.07 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.921 0.888 . . . . 0.0 111.192 -176.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -111.74 82.6 1.64 Allowed 'General case' 0 C--O 1.239 0.526 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 173.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -79.66 129.17 34.24 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.216 -0.902 . . . . 0.0 108.98 -175.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 CA-C-O 118.861 -0.966 . . . . 0.0 111.588 -178.939 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.71 0.29 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -97.47 102.96 14.85 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.52 0.728 . . . . 0.0 109.412 177.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -101.32 -16.93 16.77 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.242 0.617 . . . . 0.0 111.671 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.0 m -72.44 -14.04 61.59 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -172.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -53.94 -25.27 19.69 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 124.498 1.119 . . . . 0.0 112.427 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -55.05 -44.36 74.65 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 124.507 1.123 . . . . 0.0 112.014 178.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -114.7 4.73 15.12 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.455 0.702 . . . . 0.0 111.376 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -125.63 77.88 1.69 Allowed 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 177.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' HB3' ' O ' ' A' ' 83' ' ' SER . 10.6 tp10 -71.31 133.29 45.92 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.349 -178.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -87.64 154.62 20.45 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.555 0.742 . . . . 0.0 109.405 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.48 42.24 2.21 Favored Glycine 0 C--N 1.336 0.583 0 N-CA-C 111.546 -0.622 . . . . 0.0 111.546 -171.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.589 ' HZ3' ' HB3' ' A' ' 12' ' ' LYS . 8.6 mtpm? -65.49 87.31 0.08 Allowed 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 121.745 0.784 . . . . 0.0 110.267 175.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.1 ptm -136.24 149.13 48.37 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 114.147 -1.388 . . . . 0.0 108.128 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 68.65 26.42 74.46 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 115.702 1.041 . . . . 0.0 115.702 168.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -85.01 76.13 10.3 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 174.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.5 m-90 -90.44 164.49 14.27 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.763 -175.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.0 m -79.45 157.36 27.53 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.462 165.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.479 HD13 ' HG2' ' A' ' 74' ' ' LYS . 51.2 mm -60.17 -42.49 90.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 122.76 0.424 . . . . 0.0 111.045 -178.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.559 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 49.3 mt-10 -67.47 -32.83 73.95 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.668 179.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -64.09 -44.59 91.87 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 176.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.7 t -57.75 -63.02 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.265 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.559 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.8 pt-20 -62.58 -41.83 99.19 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.323 0.649 . . . . 0.0 112.629 -170.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -78.48 -38.3 41.32 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 122.656 0.382 . . . . 0.0 111.32 -173.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -90.3 -8.36 51.07 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 118.886 -0.578 . . . . 0.0 111.381 -177.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.9 mt -60.65 116.85 4.68 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 118.801 0.728 . . . . 0.0 111.408 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.31 -15.44 30.2 Favored Glycine 0 C--N 1.348 1.215 0 CA-C-N 115.364 -0.835 . . . . 0.0 112.663 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.0 p -88.91 176.7 6.92 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.843 0.457 . . . . 0.0 110.886 -177.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.72 -36.01 81.48 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.083 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -67.5 -43.82 79.97 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.39 0.676 . . . . 0.0 111.23 -177.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -133.18 87.13 39.88 Favored Pre-proline 0 N--CA 1.478 0.948 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -70.51 157.46 58.86 Favored 'Trans proline' 0 C--N 1.367 1.546 0 C-N-CA 121.674 1.582 . . . . 0.0 110.708 172.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -52.51 -47.36 66.69 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.132 0.573 . . . . 0.0 110.429 177.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -55.49 -38.37 69.05 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.586 -174.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -66.17 -39.72 89.95 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.866 0.866 . . . . 0.0 111.452 -178.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.41 -51.77 64.4 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.471 HG23 ' NE2' ' A' ' 40' ' ' GLN . 62.6 mt -55.99 -38.19 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-N 114.408 -1.269 . . . . 0.0 110.288 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 52.6 m -63.5 -52.88 59.37 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 124.482 1.113 . . . . 0.0 110.617 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.413 ' HD1' HD13 ' A' ' 39' ' ' LEU . 62.5 t80 -54.45 -46.28 73.26 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.746 0.418 . . . . 0.0 110.385 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.413 HD13 ' HD1' ' A' ' 38' ' ' TYR . 8.4 mp -64.13 -44.03 93.43 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.921 -177.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.471 ' NE2' HG23 ' A' ' 36' ' ' ILE . 1.9 pt20 -77.41 -17.81 57.82 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -81.45 -48.39 11.95 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.45 0.3 . . . . 0.0 110.945 174.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -93.78 -23.59 18.12 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -168.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.03 161.87 13.96 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 120.955 0.407 . . . . 0.0 110.943 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -75.91 158.01 32.55 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.616 170.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.17 -31.72 65.69 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.604 0.762 . . . . 0.0 112.204 -171.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.49 -38.66 72.06 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.373 1.069 . . . . 0.0 112.689 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -64.79 -41.71 95.61 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.173 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.493 HD11 ' HB2' ' A' ' 53' ' ' LEU . 1.8 mm? -73.69 -29.18 62.13 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.461 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -72.55 -22.73 60.96 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.203 0.601 . . . . 0.0 110.734 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -78.95 -51.3 9.82 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.171 0.588 . . . . 0.0 110.762 174.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -89.13 5.77 43.06 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.11 0.564 . . . . 0.0 112.309 -176.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.427 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 9.9 mmpt? 67.78 22.46 8.85 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.749 1.219 . . . . 0.0 112.057 173.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.493 ' HB2' HD11 ' A' ' 48' ' ' LEU . 18.6 mt -89.5 4.61 48.63 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 124.023 0.929 . . . . 0.0 110.48 176.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.6 t -73.17 -21.23 60.73 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.235 1.014 . . . . 0.0 112.7 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -74.11 -165.43 12.07 Favored Glycine 0 C--N 1.352 1.436 0 O-C-N 123.622 0.576 . . . . 0.0 113.195 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.8 t -77.18 130.2 36.97 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 175.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.517 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.2 m-20 -55.01 -25.76 32.38 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.045 0.938 . . . . 0.0 113.322 -173.329 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -58.72 -52.81 64.13 Favored 'General case' 0 C--O 1.255 1.36 0 C-N-CA 123.644 0.777 . . . . 0.0 110.537 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.4 m -64.55 -34.85 79.2 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.883 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' A' ' 57' ' ' ASN . 28.6 mt -73.96 -42.16 52.96 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 123.09 0.556 . . . . 0.0 110.674 -176.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -74.97 -18.07 60.44 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.621 0.368 . . . . 0.0 111.133 -178.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -86.58 -51.73 5.98 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.968 -0.457 . . . . 0.0 111.377 172.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.419 HD21 ' N ' ' A' ' 63' ' ' ASN . 0.8 OUTLIER -77.31 -48.81 16.44 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.079 0.552 . . . . 0.0 111.007 -170.731 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -84.51 144.15 28.89 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -125.17 -146.13 0.34 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.75 0.82 . . . . 0.0 108.925 -177.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.421 ' O ' HG13 ' A' ' 70' ' ' ILE . 79.8 m -58.28 -59.4 5.38 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 118.335 0.516 . . . . 0.0 111.748 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.1 m -50.29 -48.7 54.89 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -165.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -43.49 98.67 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.041 0.536 . . . . 0.0 111.28 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 mp -73.15 -33.28 65.4 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.989 -176.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.527 HG21 ' HE2' ' A' ' 74' ' ' LYS . 54.5 mt -67.42 -51.35 53.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 177.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.59 -39.76 81.27 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.418 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.3 -45.94 68.38 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.552 0.741 . . . . 0.0 112.627 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -66.41 -42.32 87.96 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 122.584 0.354 . . . . 0.0 110.354 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.527 ' HE2' HG21 ' A' ' 70' ' ' ILE . 56.2 mtmt -58.55 -54.37 47.83 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.318 175.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -53.89 -37.7 64.0 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.13 0.972 . . . . 0.0 111.509 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -66.75 -53.84 29.04 Favored 'General case' 0 C--O 1.255 1.388 0 C-N-CA 124.956 1.302 . . . . 0.0 111.825 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 63.8 m -66.66 -36.59 82.91 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.516 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -76.53 -25.98 54.71 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.951 0.9 . . . . 0.0 110.732 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -69.95 -24.7 63.39 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 123.373 0.669 . . . . 0.0 109.926 173.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.71 44.8 2.82 Favored Glycine 0 C--N 1.346 1.113 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.009 169.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.9 t -41.46 138.97 1.17 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.482 1.513 . . . . 0.0 114.897 -168.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -90.18 10.79 23.14 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 114.289 -1.323 . . . . 0.0 111.837 -175.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.438 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 69.3 p -67.29 -15.91 63.96 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.86 0.864 . . . . 0.0 112.69 -176.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.76 10.18 71.46 Favored Glycine 0 C--N 1.346 1.109 0 O-C-N 122.869 0.106 . . . . 0.0 113.327 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.515 HD23 ' HG2' ' A' ' 12' ' ' LYS . 21.1 mt -94.86 44.06 1.1 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.756 0.822 . . . . 0.0 109.355 -178.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -88.14 46.02 1.34 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.203 1.001 . . . . 0.0 109.258 -177.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -148.98 121.68 8.64 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.462 1.105 . . . . 0.0 108.685 -175.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.076 0 CA-C-O 118.924 -0.931 . . . . 0.0 111.079 179.449 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.2 tpp . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 109.73 -0.471 . . . . 0.0 109.73 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -89.96 75.03 7.24 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 175.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -100.96 5.76 43.31 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.962 0.905 . . . . 0.0 111.468 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.7 m -76.34 -1.81 28.61 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.693 0.797 . . . . 0.0 112.025 176.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -60.16 -23.06 63.64 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.891 1.276 . . . . 0.0 112.705 -176.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -65.89 -39.26 90.47 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.016 0.526 . . . . 0.0 111.684 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.41 ' HG3' ' HG2' ' A' ' 8' ' ' LYS . 12.9 pt-20 -94.2 -21.86 18.79 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.071 0.548 . . . . 0.0 110.496 175.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.41 ' HG2' ' HG3' ' A' ' 7' ' ' GLU . 13.7 mmmm -110.0 40.91 1.82 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.068 0.947 . . . . 0.0 110.255 -177.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.48 122.47 14.69 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.651 0.78 . . . . 0.0 110.994 -178.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -101.61 141.92 33.75 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 114.565 -1.198 . . . . 0.0 108.795 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 118.13 33.41 1.25 Allowed Glycine 0 N--CA 1.467 0.763 0 N-CA-C 111.324 -0.711 . . . . 0.0 111.324 -169.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -74.66 87.53 2.18 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 123.335 0.654 . . . . 0.0 109.367 173.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.433 ' SD ' ' HD3' ' A' ' 41' ' ' LYS . 8.3 ptm -61.54 147.92 43.85 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.629 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.79 46.15 90.31 Favored Glycine 0 C--N 1.343 0.95 0 N-CA-C 116.126 1.21 . . . . 0.0 116.126 165.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.5 p -82.26 83.44 7.41 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 172.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 -91.72 165.37 13.33 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.17 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.416 ' HA ' ' HA2' ' A' ' 88' ' ' GLY . 22.5 m -82.51 160.95 22.52 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 166.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.404 HG22 ' HG2' ' A' ' 74' ' ' LYS . 45.7 mm -59.1 -46.55 91.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 122.854 0.461 . . . . 0.0 110.781 -178.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.597 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 49.0 mt-10 -70.99 -25.6 62.77 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.741 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -66.21 -49.37 67.51 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 172.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.3 t -55.36 -57.33 7.75 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.58 0 C-N-CA 123.49 0.716 . . . . 0.0 110.704 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.597 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 13.5 pt-20 -65.51 -44.9 85.57 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -172.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -77.59 -25.04 49.59 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.609 0.363 . . . . 0.0 111.786 -173.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -103.45 -6.23 22.06 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 118.897 -0.573 . . . . 0.0 111.94 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.47 HD22 ' HG2' ' A' ' 32' ' ' LYS . 5.8 mt -61.97 114.07 3.17 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 118.784 0.72 . . . . 0.0 110.247 175.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.17 -6.06 32.16 Favored Glycine 0 CA--C 1.527 0.836 0 CA-C-N 115.701 -0.681 . . . . 0.0 113.334 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.4 p -92.65 168.09 11.46 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 117.216 0.508 . . . . 0.0 110.259 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.27 -28.29 69.62 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.422 0.689 . . . . 0.0 110.9 175.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -71.95 -43.91 64.46 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.439 1.096 . . . . 0.0 110.387 -177.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -134.68 88.97 27.02 Favored Pre-proline 0 CA--C 1.547 0.853 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.29 150.84 59.61 Favored 'Trans proline' 0 C--N 1.369 1.625 0 C-N-CA 122.088 1.859 . . . . 0.0 111.644 174.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HG2' HD22 ' A' ' 25' ' ' LEU . 55.9 mtmt -56.33 -36.62 68.93 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.711 0.804 . . . . 0.0 110.72 175.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -48.47 -55.59 10.53 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.173 0.989 . . . . 0.0 111.701 173.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -65.28 -36.26 83.54 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.309 1.044 . . . . 0.0 111.991 -172.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.436 HD11 ' HB3' ' A' ' 69' ' ' LEU . 3.4 tm? -61.56 -57.3 12.62 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.421 0.629 . . . . 0.0 109.46 175.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.451 HG23 ' NE2' ' A' ' 40' ' ' GLN . 57.3 mt -58.76 -36.74 62.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.571 -178.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.402 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 53.9 m -59.8 -48.44 81.67 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.318 1.047 . . . . 0.0 110.679 176.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.411 ' HD1' HD13 ' A' ' 39' ' ' LEU . 48.5 t80 -53.89 -52.27 61.04 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.325 0.65 . . . . 0.0 110.03 177.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.411 HD13 ' HD1' ' A' ' 38' ' ' TYR . 10.2 mp -62.86 -40.15 96.61 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.132 -175.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.451 ' NE2' HG23 ' A' ' 36' ' ' ILE . 1.6 pt20 -79.02 -17.62 55.0 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 121.82 -0.55 . . . . 0.0 112.034 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.433 ' HD3' ' SD ' ' A' ' 13' ' ' MET . 59.6 mtpt -77.68 -49.62 14.12 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.344 0.257 . . . . 0.0 110.749 172.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -85.59 -46.3 10.94 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -172.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.41 162.74 27.61 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.145 0.498 . . . . 0.0 112.254 -178.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -82.31 161.48 22.6 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.068 173.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.58 -35.49 20.9 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.646 1.178 . . . . 0.0 112.745 -175.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.61 81.28 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.086 0.954 . . . . 0.0 112.75 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -71.61 -34.26 69.69 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.087 0.555 . . . . 0.0 110.619 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.479 HD12 ' HB2' ' A' ' 53' ' ' LEU . 2.3 mm? -73.93 -34.96 64.54 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.325 176.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -65.98 -32.29 73.68 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 120.798 0.332 . . . . 0.0 110.236 172.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -65.46 -53.47 42.32 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.268 1.027 . . . . 0.0 110.524 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -95.46 14.04 23.96 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -174.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.401 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 11.5 mmpt? 68.74 20.66 8.07 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 124.752 1.221 . . . . 0.0 111.786 174.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.479 ' HB2' HD12 ' A' ' 48' ' ' LEU . 13.6 mt -92.93 11.42 27.35 Favored 'General case' 0 CA--C 1.564 1.496 0 C-N-CA 124.439 1.095 . . . . 0.0 111.241 178.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.6 t -75.31 -22.55 57.61 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -81.14 -162.11 27.97 Favored Glycine 0 N--CA 1.475 1.292 0 CA-C-O 120.385 -0.119 . . . . 0.0 113.15 -177.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.3 t -71.59 126.79 30.61 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 176.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.566 ' HA ' HD13 ' A' ' 60' ' ' ILE . 45.1 t-20 -53.94 -30.19 45.54 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.453 1.101 . . . . 0.0 111.683 -172.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -58.19 -53.9 53.07 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.172 0.989 . . . . 0.0 111.775 174.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.4 t -69.97 -27.19 64.52 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.943 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.566 HD13 ' HA ' ' A' ' 57' ' ' ASN . 57.9 mt -71.95 -49.37 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 122.403 0.281 . . . . 0.0 110.533 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -64.92 -32.05 73.58 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.318 0.247 . . . . 0.0 110.992 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -81.14 -38.01 27.88 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.425 HD21 ' N ' ' A' ' 63' ' ' ASN . 0.8 OUTLIER -94.55 -42.47 8.8 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 122.241 -0.287 . . . . 0.0 111.698 -172.28 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.8 mmp_? -75.79 137.87 40.81 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 121.104 0.478 . . . . 0.0 110.734 -177.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.439 ' N ' HD21 ' A' ' 65' ' ' ASN . 0.7 OUTLIER -75.55 154.74 36.62 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 114.583 -1.189 . . . . 0.0 109.576 179.384 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.421 ' O ' HG13 ' A' ' 70' ' ' ILE . 26.0 p -58.65 -36.29 73.88 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.373 0.669 . . . . 0.0 111.211 -178.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.8 m -59.36 -36.69 76.2 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.576 0.75 . . . . 0.0 112.249 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -61.73 -42.51 99.05 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 122.893 0.477 . . . . 0.0 110.525 173.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.436 ' HB3' HD11 ' A' ' 35' ' ' LEU . 54.2 mt -75.33 -35.49 61.2 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.359 1.064 . . . . 0.0 111.306 -173.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.467 ' O ' ' HG3' ' A' ' 74' ' ' LYS . 63.7 mt -66.05 -58.43 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 176.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.83 -33.09 66.42 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 124.424 1.078 . . . . 0.0 111.756 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.18 -53.48 56.4 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.536 0.734 . . . . 0.0 111.933 173.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -64.33 -39.15 93.33 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 122.796 0.439 . . . . 0.0 110.933 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 70' ' ' ILE . 56.0 mtpt -59.4 -55.34 35.97 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.526 0.73 . . . . 0.0 110.072 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.17 -35.4 75.28 Favored 'General case' 0 C--O 1.204 -1.326 0 CA-C-N 114.673 -1.149 . . . . 0.0 110.257 -176.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.2 -58.74 6.63 Favored 'General case' 0 C--O 1.256 1.444 0 C-N-CA 123.96 0.904 . . . . 0.0 110.795 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 74.7 m -59.59 -35.86 75.14 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.094 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -79.38 -37.03 38.29 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.59 0.756 . . . . 0.0 111.767 -178.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -78.95 -9.53 59.54 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 123.495 0.718 . . . . 0.0 111.063 -176.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.6 49.44 0.97 Allowed Glycine 0 C--N 1.352 1.446 0 C-N-CA 120.085 -1.055 . . . . 0.0 112.91 175.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.0 t -40.36 140.29 0.65 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.067 1.347 . . . . 0.0 113.628 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -71.27 -6.48 40.06 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.179 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.8 m -64.67 -24.88 67.72 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.388 0.675 . . . . 0.0 110.731 168.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.31 16.81 79.7 Favored Glycine 0 C--N 1.356 1.688 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.029 -173.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.5 mt -120.09 88.73 2.99 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 123.914 0.886 . . . . 0.0 109.163 -172.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -81.82 10.08 6.92 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.821 0.849 . . . . 0.0 111.559 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -75.76 138.84 41.49 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 123.978 0.911 . . . . 0.0 110.168 178.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.416 ' HA2' ' HA ' ' A' ' 17' ' ' SER . . . . . . . . 0 C--O 1.253 1.292 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.577 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -147.29 102.57 3.49 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.248 0.619 . . . . 0.0 109.591 173.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -78.98 -16.3 57.1 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.281 1.032 . . . . 0.0 110.935 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.7 t -68.29 -13.69 62.45 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.742 0.817 . . . . 0.0 111.315 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.517 ' HA ' ' HB2' ' A' ' 8' ' ' LYS . 26.6 t70 -66.62 -13.54 61.28 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 123.914 0.886 . . . . 0.0 111.125 173.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.54 ' HZ1' ' HB2' ' A' ' 6' ' ' LYS . 5.0 ttmp? -63.84 -43.3 96.57 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.034 0.934 . . . . 0.0 111.178 173.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.595 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 13.7 pt-20 -88.3 -10.45 49.53 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.381 0.273 . . . . 0.0 110.952 177.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.517 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 31.0 mmmt -102.63 21.92 14.52 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.891 0.876 . . . . 0.0 110.614 173.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -70.94 162.11 29.91 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.305 1.042 . . . . 0.0 111.788 -173.353 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -57.23 127.1 30.26 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.961 0.905 . . . . 0.0 110.864 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.43 -56.46 3.72 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.389 0.995 . . . . 0.0 113.436 -176.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.405 ' HE3' ' OD1' ' A' ' 42' ' ' ASN . 14.0 mmmm -90.44 87.12 6.65 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-O 121.41 0.624 . . . . 0.0 111.616 177.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.75 173.44 10.64 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 170.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.44 26.58 67.53 Favored Glycine 0 C--N 1.338 0.668 0 N-CA-C 114.118 0.407 . . . . 0.0 114.118 172.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.595 ' SG ' ' HB2' ' A' ' 7' ' ' GLU . 14.7 p -80.31 91.27 5.62 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 174.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -99.49 178.98 4.71 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.303 0.641 . . . . 0.0 110.672 -177.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.3 m -98.85 168.95 9.8 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.591 0.756 . . . . 0.0 109.231 168.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.473 HD12 ' HG2' ' A' ' 74' ' ' LYS . 49.3 mm -57.57 -44.22 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 123.653 0.781 . . . . 0.0 110.234 178.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.579 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 44.5 mt-10 -71.73 -33.89 69.1 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.384 -175.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -63.89 -45.48 89.17 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 175.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.8 t -56.14 -60.36 1.91 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.482 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.115 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.579 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 10.7 pt-20 -64.08 -42.79 96.84 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -171.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -76.25 -37.0 58.21 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.958 0.503 . . . . 0.0 111.769 -173.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -92.09 -10.44 38.99 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-O 119.165 -0.445 . . . . 0.0 111.472 -177.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.4 mt -59.17 113.44 2.13 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 118.259 0.481 . . . . 0.0 111.555 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.23 -27.54 6.65 Favored Glycine 0 C--N 1.343 0.931 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.917 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.1 p -79.28 176.84 9.31 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.062 0.545 . . . . 0.0 110.22 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -77.07 -22.28 53.09 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 172.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -59.2 -50.6 73.4 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.079 0.551 . . . . 0.0 110.085 174.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.86 82.97 19.49 Favored Pre-proline 0 N--CA 1.473 0.688 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.422 ' HG2' ' HB2' ' A' ' 34' ' ' ASP . 36.5 Cg_endo -67.92 155.12 70.95 Favored 'Trans proline' 0 C--N 1.369 1.609 0 C-N-CA 121.953 1.768 . . . . 0.0 111.117 173.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -54.57 -46.01 73.61 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.406 0.682 . . . . 0.0 110.8 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -53.47 -40.57 65.4 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.668 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.422 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 38.8 t70 -72.47 -33.86 67.31 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.321 0.648 . . . . 0.0 111.69 -173.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.57 -47.98 73.95 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 174.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.415 HG22 ' NE2' ' A' ' 40' ' ' GLN . 58.3 mt -57.68 -40.36 74.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.388 176.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 63.7 m -63.05 -49.96 72.5 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.279 1.032 . . . . 0.0 110.879 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -58.08 -44.22 87.43 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.975 0.51 . . . . 0.0 110.601 178.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.42 -41.8 98.7 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.012 0.525 . . . . 0.0 111.657 -178.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.438 ' HA ' HD23 ' A' ' 48' ' ' LEU . 1.3 pt20 -77.81 -18.13 56.7 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 122.139 -0.351 . . . . 0.0 111.818 179.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -78.69 -48.78 14.3 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 122.41 0.284 . . . . 0.0 111.123 172.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.405 ' OD1' ' HE3' ' A' ' 12' ' ' LYS . 22.0 m-80 -88.39 -46.72 8.93 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.146 0.578 . . . . 0.0 112.408 -170.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.15 163.37 25.9 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 122.635 0.374 . . . . 0.0 111.49 -177.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -76.97 159.39 29.98 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.229 172.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.0 -32.79 64.27 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.691 0.796 . . . . 0.0 112.034 -175.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.51 -41.56 66.46 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.413 1.085 . . . . 0.0 112.156 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -66.22 -42.1 89.15 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.222 -177.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.497 HD11 ' HB2' ' A' ' 53' ' ' LEU . 1.8 mm? -73.14 -28.77 62.43 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.463 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -77.53 -21.26 52.91 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.017 0.527 . . . . 0.0 111.02 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -77.3 -50.13 13.5 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.617 0.767 . . . . 0.0 109.965 174.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -91.39 8.3 36.89 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.556 0.743 . . . . 0.0 111.649 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm 59.59 23.71 12.45 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 124.766 1.226 . . . . 0.0 112.323 174.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.497 ' HB2' HD11 ' A' ' 48' ' ' LEU . 22.9 mt -82.6 1.47 38.02 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 124.288 1.035 . . . . 0.0 109.887 174.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.5 t -69.76 -13.85 62.49 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.009 1.323 . . . . 0.0 112.359 175.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.97 -168.66 37.74 Favored Glycine 0 C--N 1.352 1.421 0 O-C-N 122.934 0.146 . . . . 0.0 113.027 178.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.7 t -77.25 131.2 38.07 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 173.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.522 ' HA ' HD13 ' A' ' 60' ' ' ILE . 5.5 m-20 -56.32 -25.54 49.16 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.595 0.758 . . . . 0.0 112.847 -174.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.546 ' HZ3' ' HB2' ' A' ' 58' ' ' LYS . 5.1 ttmp? -59.44 -55.03 39.76 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 123.678 0.611 . . . . 0.0 110.418 175.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.5 m -66.6 -35.36 80.0 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.083 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.522 HD13 ' HA ' ' A' ' 57' ' ' ASN . 60.2 mt -65.14 -53.59 39.11 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 O-C-N 123.583 0.552 . . . . 0.0 111.293 -178.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 4.1 ptm180 -69.24 -27.36 65.38 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 117.655 0.207 . . . . 0.0 111.062 -179.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -73.05 -46.65 50.54 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.144 0.577 . . . . 0.0 110.856 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.52 -45.95 9.5 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.658 0.783 . . . . 0.0 111.208 -172.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.484 ' HD3' HG21 ' A' ' 60' ' ' ILE . 74.1 mtp85 -90.37 151.33 21.49 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.614 0.766 . . . . 0.0 110.151 -179.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -103.87 169.86 8.26 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.103 -176.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.486 ' O ' HG13 ' A' ' 70' ' ' ILE . 28.2 p -59.81 -29.45 68.25 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.528 0.731 . . . . 0.0 111.182 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.0 m -50.82 -45.33 59.41 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.453 1.101 . . . . 0.0 112.252 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -66.09 -37.76 86.58 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.964 0.906 . . . . 0.0 111.541 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.5 mp -72.04 -33.85 68.33 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.37 1.068 . . . . 0.0 111.777 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 66' ' ' CYS . 32.3 mt -68.88 -48.11 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 175.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.62 -37.47 75.94 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.342 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.3 -44.6 67.99 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.656 0.782 . . . . 0.0 112.036 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -67.51 -38.48 84.35 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -178.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.473 ' HG2' HD12 ' A' ' 18' ' ' ILE . 55.9 mtmt -61.4 -51.71 67.6 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.376 173.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -59.92 -31.95 70.31 Favored 'General case' 0 C--O 1.201 -1.462 0 O-C-N 123.642 0.589 . . . . 0.0 111.132 -177.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -67.58 -53.66 26.33 Favored 'General case' 0 C--O 1.253 1.267 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 175.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 42.7 t -60.14 -32.07 70.67 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 114.679 -1.146 . . . . 0.0 112.077 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 27.4 mm-40 -89.51 -36.99 15.07 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.69 0.796 . . . . 0.0 111.256 -176.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -81.06 2.88 25.25 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 123.6 0.76 . . . . 0.0 110.95 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.27 47.37 1.33 Allowed Glycine 0 C--N 1.353 1.513 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.842 166.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.49 HG21 ' HB2' ' A' ' 85' ' ' LEU . 1.6 t -39.55 121.95 1.29 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.454 1.502 . . . . 0.0 113.967 -172.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -80.1 6.58 11.21 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.667 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.1 t -74.7 -15.91 60.77 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 123.144 0.578 . . . . 0.0 109.546 162.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.02 23.88 54.05 Favored Glycine 0 C--N 1.353 1.505 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.981 177.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.49 ' HB2' HG21 ' A' ' 81' ' ' THR . 71.7 mt -81.27 80.6 7.66 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 122.731 0.412 . . . . 0.0 109.952 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -87.53 73.52 9.46 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 169.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -73.47 132.07 42.51 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 114.695 -1.139 . . . . 0.0 109.903 -174.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.132 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 -175.195 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptm . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 120.81 0.338 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -98.29 144.75 27.37 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.989 0.915 . . . . 0.0 108.896 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -100.5 -41.63 6.91 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.396 0.678 . . . . 0.0 110.904 176.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.6 m -62.9 -21.89 66.34 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.204 1.002 . . . . 0.0 113.284 -170.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -77.37 10.94 2.18 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.057 0.943 . . . . 0.0 112.54 -178.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -67.99 -40.57 83.05 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.55 0.74 . . . . 0.0 109.69 178.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -135.87 -26.01 1.22 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.214 1.006 . . . . 0.0 111.174 -178.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -86.83 69.45 10.29 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 177.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -101.81 145.55 29.02 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 114.623 -1.171 . . . . 0.0 110.98 -176.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -90.37 152.15 21.13 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.859 0.864 . . . . 0.0 109.773 -178.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.23 -51.52 4.24 Favored Glycine 0 C--N 1.342 0.904 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 -175.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -85.21 85.18 7.48 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 170.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.6 ptm -95.31 113.83 25.54 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 114.398 -1.274 . . . . 0.0 110.092 -177.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 54.99 47.78 70.94 Favored Glycine 0 C--N 1.348 1.21 0 O-C-N 123.564 0.54 . . . . 0.0 114.439 169.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.2 m -88.45 95.02 10.05 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 175.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.404 ' CE2' HD23 ' A' ' 30' ' ' LEU . 3.5 m-90 -97.97 179.37 4.81 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-O 121.505 0.669 . . . . 0.0 111.325 -173.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.7 m -92.54 163.62 13.75 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.006 166.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.523 HD13 ' HG2' ' A' ' 74' ' ' LYS . 50.5 mm -60.02 -46.14 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.383 0.673 . . . . 0.0 110.997 -177.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.523 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 1.2 tt0 -69.44 -35.02 75.28 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.338 -175.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -59.15 -45.5 90.8 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.3 t -55.57 -63.37 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.469 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.523 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 11.3 pt-20 -62.63 -44.34 96.53 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -171.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -73.17 -35.39 66.41 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.985 0.514 . . . . 0.0 111.248 -173.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -97.8 -6.56 32.43 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-O 119.173 -0.441 . . . . 0.0 111.986 -176.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.419 HD22 ' HG2' ' A' ' 32' ' ' LYS . 6.8 mt -60.92 121.48 12.48 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-N 118.508 0.595 . . . . 0.0 111.855 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.81 -0.87 55.26 Favored Glycine 0 C--N 1.344 0.987 0 CA-C-N 115.572 -0.74 . . . . 0.0 113.207 178.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.5 p -98.09 -177.86 3.87 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 117.5 0.65 . . . . 0.0 110.411 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -71.99 -22.16 61.46 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.262 0.625 . . . . 0.0 110.32 171.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -76.19 -50.62 14.03 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.789 0.836 . . . . 0.0 110.195 -175.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.404 HD23 ' CE2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -130.82 87.27 49.77 Favored Pre-proline 0 N--CA 1.476 0.838 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 176.17 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -68.33 145.86 67.1 Favored 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 121.954 1.769 . . . . 0.0 110.909 173.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.588 ' HD3' ' SG ' ' A' ' 66' ' ' CYS . 49.7 mtmt -56.35 -38.18 71.02 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.596 0.759 . . . . 0.0 111.859 -177.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -55.8 -44.83 78.2 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 124.069 0.856 . . . . 0.0 110.803 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -70.32 -30.18 67.09 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.739 0.815 . . . . 0.0 111.71 -173.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.11 -50.83 60.13 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 175.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.9 mt -61.12 -38.03 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.631 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 56.7 m -56.84 -51.35 69.34 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.656 1.183 . . . . 0.0 109.726 177.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -53.9 -49.19 69.15 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.999 0.812 . . . . 0.0 110.379 176.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.23 -43.01 99.79 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.832 -175.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.403 ' HA ' HD23 ' A' ' 48' ' ' LEU . 1.6 pt20 -80.55 -19.28 46.04 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.705 -0.622 . . . . 0.0 112.211 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -82.33 -40.13 21.86 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.513 0.325 . . . . 0.0 111.505 174.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -94.38 -23.7 17.67 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.446 0.698 . . . . 0.0 112.324 -171.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -107.9 174.08 6.04 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -175.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.426 ' O ' HD22 ' A' ' 48' ' ' LEU . 5.6 m-20 -90.88 162.56 14.74 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.787 1.235 . . . . 0.0 110.753 -177.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.24 -35.89 67.9 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.342 0.657 . . . . 0.0 111.827 -177.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.33 -41.06 75.44 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.017 0.927 . . . . 0.0 111.657 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -65.29 -45.4 84.57 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.519 -177.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.426 HD11 ' HB2' ' A' ' 53' ' ' LEU . 1.5 mm? -69.91 -42.76 72.91 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.838 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.64 -24.51 67.05 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.063 0.545 . . . . 0.0 111.21 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -74.14 -53.87 8.97 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.631 0.773 . . . . 0.0 110.327 173.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -86.3 10.21 15.51 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.428 0.691 . . . . 0.0 112.59 -174.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt 66.48 22.78 10.6 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.779 1.231 . . . . 0.0 111.091 173.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.426 ' HB2' HD11 ' A' ' 48' ' ' LEU . 28.1 mt -95.47 15.65 19.1 Favored 'General case' 0 CA--C 1.56 1.336 0 C-N-CA 125.053 1.341 . . . . 0.0 111.93 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.3 t -81.94 -9.46 59.57 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 -174.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -87.36 -147.75 12.73 Favored Glycine 0 N--CA 1.48 1.622 0 CA-C-N 117.603 0.183 . . . . 0.0 113.158 -178.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.3 t -90.1 128.7 36.38 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 176.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -56.32 -27.1 54.6 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 124.25 1.02 . . . . 0.0 112.284 -169.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -62.88 -53.87 47.52 Favored 'General case' 0 C--O 1.249 1.046 0 C-N-CA 123.577 0.751 . . . . 0.0 110.916 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 m -68.46 -33.44 74.18 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.533 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 85.4 mt -65.55 -44.33 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 122.881 0.472 . . . . 0.0 111.076 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.9 ptt85 -69.2 -32.49 71.8 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 121.848 -0.533 . . . . 0.0 109.889 176.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -72.58 -30.32 64.29 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 123.238 0.615 . . . . 0.0 112.477 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -103.83 -48.13 4.01 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.872 0.469 . . . . 0.0 111.466 -174.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.458 ' NH2' ' HG3' ' A' ' 68' ' ' GLN . 18.3 mmm180 -76.38 140.12 41.24 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -175.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -85.21 156.92 20.78 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.645 -175.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.588 ' SG ' ' HD3' ' A' ' 32' ' ' LYS . 87.4 m -56.74 -39.56 74.17 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.398 0.679 . . . . 0.0 110.661 177.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.485 ' HA ' HD12 ' A' ' 70' ' ' ILE . 16.3 m -54.91 -38.02 67.1 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.424 1.09 . . . . 0.0 111.944 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.458 ' HG3' ' NH2' ' A' ' 64' ' ' ARG . 1.2 tm0? -65.55 -46.56 79.05 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.773 0.829 . . . . 0.0 110.3 176.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.8 mp -64.41 -35.84 82.21 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.788 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 67' ' ' SER . 32.7 mt -67.02 -50.16 66.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 176.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.88 -33.24 70.27 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.114 0.966 . . . . 0.0 111.786 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.65 -46.59 37.1 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.519 0.728 . . . . 0.0 110.915 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -65.72 -38.23 88.6 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.724 0.41 . . . . 0.0 110.251 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.523 ' HG2' HD13 ' A' ' 18' ' ' ILE . 58.9 mtmt -62.56 -56.48 17.56 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.26 0.624 . . . . 0.0 109.558 175.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -50.25 -40.86 49.16 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.981 0.913 . . . . 0.0 111.315 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -67.35 -46.87 72.1 Favored 'General case' 0 C--O 1.25 1.105 0 C-N-CA 124.346 1.059 . . . . 0.0 111.485 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 43.5 t -62.76 -36.09 81.92 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.417 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 11.9 mm-40 -84.07 -24.87 30.21 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.9 0.88 . . . . 0.0 110.46 -177.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -68.22 -23.21 64.79 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.485 0.714 . . . . 0.0 110.151 168.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.36 43.12 5.65 Favored Glycine 0 C--N 1.348 1.24 0 N-CA-C 112.017 -0.433 . . . . 0.0 112.017 169.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.5 t -43.69 122.08 2.59 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.718 1.207 . . . . 0.0 113.292 -174.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.413 ' HG2' HD21 ' A' ' 86' ' ' ASN . 51.3 mtmt -98.62 26.58 5.47 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.554 -177.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.7 t -88.27 63.27 7.09 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 173.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 94.37 -39.93 2.82 Favored Glycine 0 C--N 1.346 1.111 0 CA-C-N 115.165 -0.925 . . . . 0.0 113.393 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.54 -70.17 0.27 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.392 0.677 . . . . 0.0 111.241 -174.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.413 HD21 ' HG2' ' A' ' 82' ' ' LYS . 7.4 t30 -88.71 73.54 8.5 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -106.12 114.78 29.13 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.192 0 CA-C-O 119.055 -0.859 . . . . 0.0 111.821 179.124 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.1 ttm . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -98.96 85.41 3.26 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 173.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -102.26 -28.7 12.12 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.478 0.711 . . . . 0.0 111.07 177.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.7 t -90.52 -4.4 56.94 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.575 0.75 . . . . 0.0 112.554 -171.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -97.43 -12.59 22.54 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -171.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -58.35 -27.43 64.17 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -179.542 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.483 ' N ' ' HD2' ' A' ' 6' ' ' LYS . 10.4 pt-20 -83.74 -23.21 31.68 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.811 1.244 . . . . 0.0 111.305 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -119.86 32.18 6.18 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.0 1.32 . . . . 0.0 108.374 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -71.49 150.99 44.33 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.307 -173.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -71.03 157.91 37.4 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.922 0.889 . . . . 0.0 110.625 174.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.52 38.51 10.69 Favored Glycine 0 C--N 1.339 0.749 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 -168.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.515 ' HB3' HD13 ' A' ' 85' ' ' LEU . 54.1 mttm -70.77 86.95 0.69 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.547 1.139 . . . . 0.0 110.44 -172.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.61 173.84 9.28 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.093 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.96 13.0 83.85 Favored Glycine 0 C--N 1.339 0.733 0 N-CA-C 114.821 0.688 . . . . 0.0 114.821 169.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.431 ' HB2' HD11 ' A' ' 85' ' ' LEU . 44.6 t -84.93 95.5 9.06 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 172.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 -102.03 165.87 10.93 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.282 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.4 m -71.13 152.82 43.06 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 166.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.557 HD11 ' HG2' ' A' ' 74' ' ' LYS . 50.3 mm -56.66 -41.39 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 122.948 0.499 . . . . 0.0 109.695 175.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.563 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 38.1 mt-10 -69.55 -34.79 74.7 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.863 178.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -64.68 -45.01 88.5 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 176.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.5 t -56.39 -59.75 2.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 O-C-N 124.216 0.947 . . . . 0.0 110.08 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.563 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 13.1 pt-20 -65.76 -37.75 87.21 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -171.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -83.75 -24.64 31.04 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.777 0.431 . . . . 0.0 111.966 -173.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -101.56 -8.53 21.8 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 mt -64.86 115.72 5.62 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 118.608 0.64 . . . . 0.0 110.015 177.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.6 -17.36 12.23 Favored Glycine 0 C--N 1.338 0.647 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.152 -177.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.2 p -82.58 177.11 8.88 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 173.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -84.92 -13.43 50.83 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.04 0.536 . . . . 0.0 110.431 171.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -78.45 -40.57 35.29 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.84 0.856 . . . . 0.0 110.483 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.69 79.29 64.65 Favored Pre-proline 0 C--O 1.241 0.64 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 170.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.95 154.25 63.11 Favored 'Trans proline' 0 C--N 1.371 1.714 0 C-N-CA 121.767 1.644 . . . . 0.0 111.4 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -58.12 -38.89 77.39 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.343 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -49.81 -51.12 42.08 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.597 1.159 . . . . 0.0 111.109 173.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -66.81 -36.77 83.13 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.072 0.949 . . . . 0.0 111.723 -172.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.47 HD12 ' HB3' ' A' ' 69' ' ' LEU . 2.8 tm? -63.2 -51.45 66.29 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.456 HG21 ' HB3' ' A' ' 53' ' ' LEU . 71.4 mt -59.34 -37.61 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.74 178.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.5 m -62.16 -52.28 64.44 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 124.09 0.869 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -55.61 -46.58 77.32 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.065 0.546 . . . . 0.0 110.273 177.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 mp -58.91 -44.14 91.2 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.509 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.438 ' HA ' HD22 ' A' ' 48' ' ' LEU . 1.6 pt20 -79.3 -19.39 50.55 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -74.06 -49.44 24.13 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.11 0.481 . . . . 0.0 110.333 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -93.09 -24.82 18.16 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.685 -167.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.89 173.75 8.33 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.409 0.623 . . . . 0.0 112.353 176.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -87.9 157.38 18.98 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 114.666 -1.152 . . . . 0.0 108.766 169.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.21 -29.73 47.35 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.759 0.823 . . . . 0.0 112.246 -174.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.86 -43.0 80.75 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.791 1.236 . . . . 0.0 112.388 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -64.05 -40.4 96.22 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.767 0.827 . . . . 0.0 110.424 -177.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 53' ' ' LEU . 1.4 mm? -76.61 -29.12 56.39 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.677 -178.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -70.26 -29.39 66.17 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 122.672 0.389 . . . . 0.0 110.563 173.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -70.53 -59.19 2.98 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.66 0.784 . . . . 0.0 110.729 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -81.48 1.19 34.43 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.614 0.766 . . . . 0.0 112.335 -177.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? 69.12 24.03 6.25 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 124.731 1.213 . . . . 0.0 111.619 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.482 ' HB2' HD11 ' A' ' 48' ' ' LEU . 16.5 mt -86.84 6.02 33.82 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 124.334 1.054 . . . . 0.0 111.246 177.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.4 t -78.97 -13.19 59.94 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 123.768 0.827 . . . . 0.0 112.765 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.86 -155.39 10.36 Favored Glycine 0 C--N 1.354 1.555 0 C-N-CA 122.495 0.093 . . . . 0.0 113.119 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.411 ' O ' HG13 ' A' ' 60' ' ' ILE . 9.8 t -85.29 132.65 34.23 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 173.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.491 ' HA ' HD12 ' A' ' 60' ' ' ILE . 16.2 m120 -51.99 -32.27 33.04 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.469 1.108 . . . . 0.0 113.064 -171.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -59.47 -55.04 39.63 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.837 0.855 . . . . 0.0 110.865 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.9 m -69.58 -33.48 72.78 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.423 -176.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 57' ' ' ASN . 49.9 mt -65.22 -52.32 54.1 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.093 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.661 -179.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -68.82 -27.79 66.16 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.376 0.27 . . . . 0.0 110.922 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -65.38 -44.4 87.68 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.488 0.715 . . . . 0.0 110.325 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.403 HD21 ' N ' ' A' ' 63' ' ' ASN . 1.0 OUTLIER -87.02 -53.21 5.0 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 121.109 0.481 . . . . 0.0 111.058 -177.736 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -84.88 103.41 13.92 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.12 0.968 . . . . 0.0 108.536 -177.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -70.67 172.59 8.41 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.963 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.485 ' O ' HG13 ' A' ' 70' ' ' ILE . 75.5 m -50.96 -40.67 58.22 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.785 -1.098 . . . . 0.0 112.545 -176.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.437 ' HA ' HD11 ' A' ' 70' ' ' ILE . 12.6 m -52.02 -46.98 65.21 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.564 1.146 . . . . 0.0 112.251 -177.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -65.42 -38.3 89.51 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.348 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.47 ' HB3' HD12 ' A' ' 35' ' ' LEU . 58.1 mt -74.84 -24.71 58.64 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.575 -177.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 66' ' ' CYS . 62.2 mt -70.29 -50.9 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 172.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.43 -34.06 73.43 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.352 177.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.88 -47.8 61.2 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.65 0.78 . . . . 0.0 111.956 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -66.4 -38.96 88.66 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 122.835 0.454 . . . . 0.0 110.477 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.557 ' HG2' HD11 ' A' ' 18' ' ' ILE . 55.7 mtmt -61.63 -54.95 36.01 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 175.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -52.88 -36.34 59.12 Favored 'General case' 0 C--O 1.204 -1.322 0 O-C-N 124.205 0.941 . . . . 0.0 110.928 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -66.8 -51.94 49.78 Favored 'General case' 0 C--O 1.258 1.536 0 C-N-CA 125.091 1.356 . . . . 0.0 111.653 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.422 ' SG ' ' HA ' ' A' ' 86' ' ' ASN . 41.5 t -63.57 -36.31 83.38 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.318 178.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 13.6 mm-40 -82.07 -24.37 35.29 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.017 0.927 . . . . 0.0 110.714 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -66.98 -32.28 73.41 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.927 0.891 . . . . 0.0 109.781 174.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.596 ' HA2' HD22 ' A' ' 86' ' ' ASN . . . 101.98 44.26 1.94 Allowed Glycine 0 C--N 1.346 1.127 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.866 176.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.2 t -43.38 139.18 2.09 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.844 1.258 . . . . 0.0 113.536 -173.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -61.05 -21.03 63.25 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.798 1.239 . . . . 0.0 112.315 -178.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.2 m -59.08 -29.14 67.12 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.479 1.112 . . . . 0.0 111.382 177.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.21 24.38 77.07 Favored Glycine 0 C--N 1.351 1.415 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.174 -174.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.515 HD13 ' HB3' ' A' ' 12' ' ' LYS . 85.1 mt -103.61 35.01 2.74 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.938 0.895 . . . . 0.0 110.498 -175.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.596 HD22 ' HA2' ' A' ' 80' ' ' GLY . 1.5 m-20 -71.38 105.33 3.49 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 173.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -128.87 103.81 7.25 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 -172.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.267 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.685 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.503 ' HE3' ' HB2' ' A' ' 3' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -130.37 62.09 1.59 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 167.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.503 ' HB2' ' HE3' ' A' ' 1' ' ' MET . 19.9 m-20 -101.35 4.47 41.57 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.151 0.58 . . . . 0.0 111.664 -178.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.5 t -72.02 -23.84 61.46 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.764 0.825 . . . . 0.0 110.621 -179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -61.94 -34.84 76.84 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.222 1.009 . . . . 0.0 112.1 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -78.55 8.67 4.89 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.597 0.759 . . . . 0.0 112.701 -176.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -132.05 -46.61 0.93 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.794 0.838 . . . . 0.0 110.794 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -81.4 -50.78 9.06 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.608 0.763 . . . . 0.0 109.882 -173.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -74.88 141.37 44.18 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 170.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -63.81 154.8 32.36 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.512 0.725 . . . . 0.0 111.346 -171.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.22 19.1 15.16 Favored Glycine 0 N--CA 1.471 1.019 0 N-CA-C 111.667 -0.573 . . . . 0.0 111.667 -171.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.444 ' HD3' ' H ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -63.11 128.54 36.31 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 124.029 0.932 . . . . 0.0 109.83 175.538 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.46 147.11 22.59 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.792 0.837 . . . . 0.0 110.926 -173.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.33 39.35 31.38 Favored Glycine 0 C--N 1.334 0.431 0 CA-C-N 116.183 -0.462 . . . . 0.0 113.878 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.1 p -91.5 107.66 19.36 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 169.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -114.23 167.04 11.04 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.422 0.689 . . . . 0.0 110.648 -172.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.3 m -76.23 158.88 31.17 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 166.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.0 mm -55.06 -44.14 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 123.054 0.542 . . . . 0.0 110.199 175.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.535 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 38.5 mt-10 -66.86 -38.59 86.64 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.377 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -63.73 -44.54 93.24 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 176.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.3 t -55.01 -60.97 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.487 0.715 . . . . 0.0 110.089 176.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.535 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.8 pt-20 -63.17 -46.52 86.72 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.346 0.658 . . . . 0.0 112.715 -169.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -71.83 -41.79 67.73 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 122.971 0.508 . . . . 0.0 110.826 -173.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -90.43 -8.84 49.52 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 119.004 -0.522 . . . . 0.0 111.507 -173.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mt -57.18 125.41 22.6 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 122.899 0.48 . . . . 0.0 111.565 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.9 -3.94 52.65 Favored Glycine 0 C--N 1.345 1.056 0 CA-C-N 115.504 -0.771 . . . . 0.0 113.207 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.2 p -100.19 -173.48 2.44 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 117.338 0.569 . . . . 0.0 110.383 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -79.72 -26.27 40.9 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.908 0.483 . . . . 0.0 110.223 170.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -63.1 -53.19 57.49 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.224 0.61 . . . . 0.0 109.668 176.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -136.07 88.02 22.78 Favored Pre-proline 0 CA--C 1.542 0.654 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.91 157.58 54.55 Favored 'Trans proline' 0 C--N 1.364 1.38 0 C-N-CA 121.932 1.754 . . . . 0.0 111.332 173.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -55.37 -47.28 76.04 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.431 0.692 . . . . 0.0 110.64 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.406 ' OD1' ' HB3' ' A' ' 57' ' ' ASN . 5.0 t30 -57.74 -38.08 74.73 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.175 0.99 . . . . 0.0 111.914 -175.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -69.44 -37.34 77.34 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.579 0.752 . . . . 0.0 111.048 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.33 -51.52 67.31 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.942 0.897 . . . . 0.0 109.077 173.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.7 mt -57.41 -42.68 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 C-N-CA 124.942 1.297 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.4 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 85.5 m -64.65 -47.45 78.45 Favored 'General case' 0 C--N 1.347 0.465 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.065 -179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.433 ' HH ' HD13 ' A' ' 85' ' ' LEU . 82.4 t80 -58.39 -41.42 84.83 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.805 0.442 . . . . 0.0 110.828 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.2 mp -68.96 -36.98 78.55 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 122.828 0.451 . . . . 0.0 111.998 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.02 -17.8 56.65 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 118.794 0.724 . . . . 0.0 111.603 176.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 37' ' ' THR . 30.0 mtpp -80.35 -41.77 24.13 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.413 0.285 . . . . 0.0 110.879 172.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -89.77 -45.05 9.57 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -174.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.6 154.55 20.96 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.127 0.571 . . . . 0.0 111.821 -176.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -73.43 159.6 33.01 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.266 173.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.23 -31.32 31.62 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.434 1.094 . . . . 0.0 112.774 -174.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.28 -42.04 90.33 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.168 0.987 . . . . 0.0 112.333 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -67.25 -38.86 85.86 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.579 -177.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.508 HD13 ' HB2' ' A' ' 53' ' ' LEU . 2.0 mm? -71.74 -32.14 67.42 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.429 178.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -70.99 -25.81 62.86 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 122.634 0.374 . . . . 0.0 111.097 174.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -71.52 -53.91 12.29 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.152 0.581 . . . . 0.0 109.879 175.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -94.32 12.64 26.23 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.415 0.686 . . . . 0.0 112.633 -172.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.581 ' HB2' ' HD2' ' A' ' 64' ' ' ARG . 11.0 mmpt? 66.47 22.67 10.63 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.54 1.136 . . . . 0.0 112.0 172.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.508 ' HB2' HD13 ' A' ' 48' ' ' LEU . 19.6 mt -91.05 7.97 37.79 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.839 0.855 . . . . 0.0 110.565 177.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -82.09 -12.47 58.2 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 124.38 1.072 . . . . 0.0 112.7 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -77.82 -161.68 16.72 Favored Glycine 0 C--N 1.355 1.607 0 CA-C-O 120.18 -0.233 . . . . 0.0 112.798 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.414 ' O ' HG13 ' A' ' 60' ' ' ILE . 6.9 t -80.29 129.71 34.69 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 170.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.503 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.6 m-20 -51.76 -26.04 8.77 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 124.28 1.032 . . . . 0.0 113.774 -172.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -68.92 -49.76 55.31 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 123.382 0.673 . . . . 0.0 110.302 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.8 m -68.87 -27.74 66.07 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.252 177.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' A' ' 57' ' ' ASN . 61.6 mt -71.76 -49.98 41.84 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 C-N-CA 122.85 0.46 . . . . 0.0 110.098 178.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -67.94 -19.68 65.0 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 122.156 -0.34 . . . . 0.0 111.327 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -79.13 -53.82 6.61 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 171.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -91.01 -14.54 31.22 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -167.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.581 ' HD2' ' HB2' ' A' ' 52' ' ' LYS . 3.1 mmp_? -103.15 110.0 21.78 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 176.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -65.42 166.75 9.7 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.177 177.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.51 ' O ' HG13 ' A' ' 70' ' ' ILE . 24.6 p -58.26 -44.91 88.6 Favored 'General case' 0 C--O 1.213 -0.849 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.499 175.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.549 ' HA ' HD12 ' A' ' 70' ' ' ILE . 48.3 m -55.65 -33.46 64.08 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.029 0.932 . . . . 0.0 112.873 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.1 -44.13 73.08 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.567 0.747 . . . . 0.0 109.111 178.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.2 mt -73.67 -24.61 60.0 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.471 1.109 . . . . 0.0 112.524 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.551 HG23 ' HE2' ' A' ' 74' ' ' LYS . 56.5 mt -72.35 -48.75 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 173.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.34 -34.65 70.87 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.963 0.789 . . . . 0.0 111.326 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.89 -53.73 19.54 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.249 0.62 . . . . 0.0 111.556 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -65.52 -36.95 85.32 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.003 0.521 . . . . 0.0 110.474 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.551 ' HE2' HG23 ' A' ' 70' ' ' ILE . 53.6 mtmt -63.83 -52.46 60.04 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 122.759 0.424 . . . . 0.0 110.438 176.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 31.1 t70 -55.89 -39.72 71.99 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 123.784 0.677 . . . . 0.0 110.709 -177.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -60.36 -53.46 57.3 Favored 'General case' 0 C--O 1.258 1.508 0 C-N-CA 124.443 1.097 . . . . 0.0 110.606 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 84.3 m -69.7 -34.43 73.89 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 114.395 -1.275 . . . . 0.0 112.913 -176.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -79.71 -26.31 40.9 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.459 1.103 . . . . 0.0 110.21 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 3.9 t60 -65.8 -39.09 90.57 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.89 0.876 . . . . 0.0 108.865 173.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.88 42.08 2.52 Favored Glycine 0 C--N 1.346 1.103 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.7 t -43.83 150.83 0.23 Allowed 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 -171.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -58.31 -26.68 63.31 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 112.867 -1.969 . . . . 0.0 112.365 173.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.1 m -60.54 -27.18 67.45 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.94 0.896 . . . . 0.0 111.798 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 99.51 6.51 54.92 Favored Glycine 0 C--N 1.345 1.054 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.621 -177.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.433 HD13 ' HH ' ' A' ' 38' ' ' TYR . 19.7 mt -83.16 76.25 9.88 Favored 'General case' 0 C--N 1.35 0.606 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 176.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -97.82 71.43 2.21 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 174.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -132.51 152.28 51.62 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.813 -168.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.742 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 178.048 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.9 ttp . . . . . 0 N--CA 1.484 1.237 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -111.2 81.9 1.51 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.078 0.951 . . . . 0.0 109.137 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -62.55 -32.75 73.77 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.623 1.169 . . . . 0.0 110.764 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.4 t -71.12 -18.26 62.53 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.528 -176.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -73.7 -31.73 63.56 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-N 118.309 0.504 . . . . 0.0 110.806 173.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -71.19 -15.74 62.48 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.289 0.636 . . . . 0.0 111.628 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -104.43 -54.26 2.56 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.388 1.075 . . . . 0.0 109.796 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -92.82 79.4 4.71 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.741 1.216 . . . . 0.0 108.517 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.79 123.44 20.96 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.462 175.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -86.78 147.88 25.65 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 171.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.88 26.43 10.48 Favored Glycine 0 C--O 1.239 0.443 0 CA-C-N 116.602 -0.272 . . . . 0.0 112.543 -176.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -71.59 85.58 0.88 Allowed 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 170.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.81 156.96 19.15 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 176.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.37 22.99 61.56 Favored Glycine 0 C--N 1.336 0.53 0 O-C-N 123.539 0.524 . . . . 0.0 114.282 175.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.6 p -87.86 78.3 8.36 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 173.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -90.95 172.93 8.25 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.344 0.657 . . . . 0.0 110.354 -175.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.6 m -85.23 157.5 20.59 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 164.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.3 mm -59.0 -41.49 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 123.341 0.656 . . . . 0.0 111.407 -178.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.538 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 42.5 mt-10 -68.41 -34.85 76.74 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.554 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -62.63 -39.77 94.88 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 173.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 68.9 t -61.65 -56.59 16.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.436 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.538 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 9.2 pt-20 -65.25 -36.4 84.02 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -173.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -81.35 -34.24 31.91 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.03 0.206 . . . . 0.0 111.445 -177.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -101.98 -0.3 33.96 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -175.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.7 mt -61.83 122.77 16.24 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 119.085 0.857 . . . . 0.0 111.201 177.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.7 10.58 60.11 Favored Glycine 0 C--N 1.349 1.255 0 CA-C-N 115.521 -0.763 . . . . 0.0 113.826 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.4 p -100.84 -171.3 1.98 Allowed 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 117.55 0.675 . . . . 0.0 110.634 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -79.74 -28.08 40.49 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.17 0.588 . . . . 0.0 110.593 172.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -68.26 -44.24 76.03 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.514 0.725 . . . . 0.0 110.123 176.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.0 tp -144.09 93.81 5.95 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.538 177.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -62.16 152.0 78.59 Favored 'Trans proline' 0 C--N 1.362 1.274 0 C-N-CA 121.896 1.731 . . . . 0.0 110.764 164.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -57.15 -34.47 68.46 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.043 0.537 . . . . 0.0 109.968 172.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -57.76 -49.99 74.73 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.586 177.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -66.51 -33.34 75.47 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.632 0.773 . . . . 0.0 111.351 -171.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -60.68 -58.05 10.12 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.387 173.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.7 mt -59.63 -36.54 65.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.788 -177.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.8 m -58.65 -52.37 65.98 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.38 1.072 . . . . 0.0 110.177 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.435 ' HD1' HD11 ' A' ' 39' ' ' LEU . 61.8 t80 -54.58 -46.18 73.71 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.406 0.682 . . . . 0.0 110.176 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.435 HD11 ' HD1' ' A' ' 38' ' ' TYR . 9.7 mp -63.88 -42.45 97.5 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.075 -0.512 . . . . 0.0 112.327 -176.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.47 -16.51 48.56 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.669 -0.645 . . . . 0.0 112.281 -179.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.584 ' HB3' ' HZ1' ' A' ' 41' ' ' LYS . 10.5 mtpm? -77.24 -45.52 26.2 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.712 0.405 . . . . 0.0 111.224 171.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -87.49 -45.93 10.05 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.578 -172.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.481 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . . . -77.11 157.37 31.07 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 121.118 0.485 . . . . 0.0 111.918 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -76.57 158.89 30.78 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.572 167.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.86 -29.73 42.64 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.965 0.906 . . . . 0.0 112.825 -171.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.55 -44.85 73.25 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.547 1.139 . . . . 0.0 112.145 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -64.34 -42.98 95.97 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.41 -176.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.452 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.5 mm? -73.57 -28.66 61.97 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.613 -178.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -74.32 -21.77 59.56 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.855 0.462 . . . . 0.0 111.141 174.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -76.69 -49.28 16.48 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 122.61 0.364 . . . . 0.0 110.032 172.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -93.1 9.87 34.03 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -173.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.6 mmpt? 64.37 20.51 12.19 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 124.547 1.139 . . . . 0.0 111.67 175.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.525 ' HA ' HD11 ' A' ' 60' ' ' ILE . 32.0 mt -89.43 1.42 55.88 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 124.026 0.93 . . . . 0.0 110.629 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.2 t -74.52 -11.98 60.36 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.068 0.947 . . . . 0.0 112.554 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -78.8 -169.51 36.44 Favored Glycine 0 C--N 1.352 1.457 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 175.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.8 t -73.97 127.53 33.11 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 117.158 0.479 . . . . 0.0 109.72 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.576 ' HA ' HD12 ' A' ' 60' ' ' ILE . 40.2 t-20 -53.25 -36.15 60.79 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.914 1.286 . . . . 0.0 112.298 -170.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -58.72 -53.05 62.69 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.342 1.057 . . . . 0.0 111.054 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 t -62.62 -42.88 99.84 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.137 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 57' ' ' ASN . 71.2 mt -57.04 -60.42 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 O-C-N 124.077 0.86 . . . . 0.0 110.569 -176.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -60.69 -30.98 70.26 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.848 0.459 . . . . 0.0 111.982 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -68.82 -39.5 80.01 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 122.887 0.475 . . . . 0.0 111.488 175.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.88 -18.71 24.33 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.934 0.894 . . . . 0.0 111.884 -173.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.506 ' HD3' ' HG3' ' A' ' 68' ' ' GLN . 7.9 mmp_? -107.58 148.54 29.16 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.41 0.684 . . . . 0.0 110.223 -176.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -78.09 167.51 21.32 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.151 171.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.468 ' O ' HG13 ' A' ' 70' ' ' ILE . 25.1 p -57.74 -42.06 83.14 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 170.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.589 ' HA ' HD12 ' A' ' 70' ' ' ILE . 22.9 m -51.86 -37.58 52.64 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.926 1.29 . . . . 0.0 113.589 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.506 ' HG3' ' HD3' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -66.29 -46.43 77.01 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 121.241 0.543 . . . . 0.0 109.716 178.202 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.8 mt -71.93 -31.75 66.65 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.897 -173.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.589 HD12 ' HA ' ' A' ' 67' ' ' SER . 27.8 mt -65.48 -51.35 64.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 172.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.76 -40.1 69.01 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.455 1.102 . . . . 0.0 111.539 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.39 -48.29 67.82 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.934 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -65.46 -30.11 70.86 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 122.827 0.451 . . . . 0.0 110.94 178.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -67.97 -59.65 3.11 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.89 -25.45 65.1 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.833 0.453 . . . . 0.0 111.251 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.481 ' CE1' ' HB3' ' A' ' 43' ' ' ALA . 2.8 t80 -63.36 -60.8 2.9 Favored 'General case' 0 C--O 1.255 1.381 0 C-N-CA 123.851 0.86 . . . . 0.0 110.888 174.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.508 ' HB3' ' HB3' ' A' ' 87' ' ' GLN . 74.8 m -67.99 -34.49 76.63 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.939 -176.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -73.64 -35.11 65.25 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.616 0.767 . . . . 0.0 110.944 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -67.25 -29.42 69.04 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 174.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 101.5 45.75 1.77 Allowed Glycine 0 C--N 1.346 1.107 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.89 176.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.5 t -42.01 148.09 0.2 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.284 1.434 . . . . 0.0 114.585 -173.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -65.56 -5.43 8.06 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 113.379 -1.737 . . . . 0.0 112.613 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.3 m -57.28 -30.17 64.49 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.048 0.939 . . . . 0.0 111.217 167.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 100.36 29.23 6.79 Favored Glycine 0 C--N 1.35 1.349 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.979 -171.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 83.3 mt -123.65 115.58 21.69 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.352 0.661 . . . . 0.0 110.305 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' A' ' 77' ' ' CYS . 6.4 t30 -118.43 81.29 1.66 Allowed 'General case' 0 C--O 1.241 0.632 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 164.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.508 ' HB3' ' HB3' ' A' ' 77' ' ' CYS . 8.8 tt0 -100.66 143.52 30.74 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 114.673 -1.149 . . . . 0.0 110.227 -174.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.836 0 CA-C-O 119.14 -0.811 . . . . 0.0 111.358 179.296 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.5 ttm . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -77.6 84.3 3.97 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-O 121.39 0.614 . . . . 0.0 109.838 -177.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -79.08 -36.14 41.28 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.646 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.5 m -55.82 -36.98 68.08 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.427 1.091 . . . . 0.0 112.542 -175.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.62 -7.43 47.8 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.47 1.108 . . . . 0.0 112.984 -173.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.48 -37.97 68.31 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 176.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -87.55 -33.87 18.77 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.434 173.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -96.68 45.17 1.05 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.316 1.046 . . . . 0.0 110.291 -177.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -72.16 163.28 28.19 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.273 1.029 . . . . 0.0 111.404 -179.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.82 132.47 53.98 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.18 0.592 . . . . 0.0 111.801 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.61 -52.66 4.48 Favored Glycine 0 C--N 1.345 1.037 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.804 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.427 ' HE2' ' SG ' ' A' ' 15' ' ' CYS . 86.3 tttt -88.19 95.28 10.11 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.113 0.565 . . . . 0.0 110.082 177.226 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.43 155.56 43.48 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 173.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 60.08 39.84 96.3 Favored Glycine 0 C--N 1.344 0.978 0 O-C-N 123.614 0.571 . . . . 0.0 113.876 174.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.427 ' SG ' ' HE2' ' A' ' 12' ' ' LYS . 13.8 p -87.2 92.49 9.08 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -98.96 175.19 6.02 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 121.529 0.68 . . . . 0.0 111.299 -172.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.2 m -96.76 163.61 12.92 Favored 'General case' 0 C--O 1.245 0.857 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.141 166.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.9 mm -55.83 -45.62 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.093 0.957 . . . . 0.0 111.329 -178.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.549 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 45.3 mt-10 -72.77 -29.79 63.59 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.11 -174.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -62.17 -46.51 88.65 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 172.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.568 ' HA ' ' HG ' ' A' ' 30' ' ' LEU . 47.4 t -57.3 -60.74 1.73 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.719 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.549 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.7 pt-20 -66.43 -43.07 86.68 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -171.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -76.7 -26.99 55.31 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.918 0.487 . . . . 0.0 111.543 -174.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -109.25 1.8 20.44 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 118.557 -0.735 . . . . 0.0 112.055 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 mt -59.78 111.46 1.46 Allowed 'General case' 0 N--CA 1.49 1.556 0 CA-C-N 119.172 0.896 . . . . 0.0 110.396 175.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.66 21.75 11.01 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 115.226 -0.897 . . . . 0.0 113.168 -174.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.1 p -119.01 -177.0 3.23 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 117.328 0.564 . . . . 0.0 109.948 172.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -72.4 -34.06 67.6 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.461 0.704 . . . . 0.0 110.84 172.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -75.41 -23.73 57.06 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.544 0.737 . . . . 0.0 111.66 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.568 ' HG ' ' HA ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -150.36 85.76 5.3 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 172.536 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -65.16 148.74 89.23 Favored 'Trans proline' 0 C--N 1.368 1.574 0 C-N-CA 122.124 1.883 . . . . 0.0 111.545 168.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.499 ' NZ ' ' SG ' ' A' ' 66' ' ' CYS . 49.1 mttm -61.63 -36.75 81.67 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.027 173.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -63.88 -50.92 66.87 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 124.015 0.822 . . . . 0.0 109.339 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -59.85 -35.02 73.88 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.717 1.207 . . . . 0.0 111.692 -177.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.489 HD12 ' HB3' ' A' ' 69' ' ' LEU . 3.1 tm? -64.47 -56.21 15.67 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.531 0.732 . . . . 0.0 109.739 175.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.1 mt -59.6 -36.29 64.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 C-N-CA 123.983 0.913 . . . . 0.0 111.062 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 99.5 m -63.96 -50.32 69.08 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.899 0.88 . . . . 0.0 109.869 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -56.0 -42.65 76.73 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.355 0.662 . . . . 0.0 110.598 177.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.37 -45.01 89.59 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.569 -178.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.457 ' HA ' HD22 ' A' ' 48' ' ' LEU . 1.4 pt20 -77.74 -17.39 57.62 Favored 'General case' 0 N--CA 1.484 1.225 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -81.47 -51.32 8.41 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.641 0.376 . . . . 0.0 111.168 173.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -90.42 -33.04 16.17 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.528 0.731 . . . . 0.0 112.596 -168.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.37 165.94 16.82 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 117.915 0.325 . . . . 0.0 110.963 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -77.61 155.8 31.23 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.549 0.739 . . . . 0.0 109.551 177.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.42 -32.64 68.86 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.271 0.628 . . . . 0.0 111.512 -176.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.45 -41.01 72.3 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.511 1.124 . . . . 0.0 111.991 175.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -66.48 -37.65 85.55 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.973 0.909 . . . . 0.0 110.956 -176.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' ' 40' ' ' GLN . 1.6 mm? -77.0 -32.3 57.11 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.515 0.326 . . . . 0.0 110.836 178.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -78.1 -13.22 59.95 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.805 0.442 . . . . 0.0 110.854 175.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -81.45 -49.64 10.39 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.447 1.099 . . . . 0.0 110.321 171.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -91.01 0.99 57.41 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.51 0.724 . . . . 0.0 112.318 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm 63.84 27.52 14.55 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.763 1.225 . . . . 0.0 111.524 177.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.424 ' HB2' HD12 ' A' ' 48' ' ' LEU . 22.1 mt -85.92 1.43 50.03 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.024 172.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.4 t -65.87 -21.1 66.44 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.65 1.18 . . . . 0.0 112.408 176.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.59 -171.17 29.81 Favored Glycine 0 C--N 1.349 1.292 0 CA-C-N 116.499 -0.319 . . . . 0.0 113.34 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.0 t -74.68 133.55 42.08 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.557 ' HA ' HD13 ' A' ' 60' ' ' ILE . 39.4 t-20 -57.44 -34.15 68.65 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.081 0.952 . . . . 0.0 111.745 -170.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -54.81 -54.92 35.9 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.869 0.868 . . . . 0.0 110.168 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.2 m -68.27 -25.85 65.37 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.863 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.557 HD13 ' HA ' ' A' ' 57' ' ' ASN . 55.5 mt -73.05 -60.77 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 178.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 8.1 ptm180 -62.58 -16.36 55.94 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.301 0.641 . . . . 0.0 112.266 -178.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -87.23 -52.49 5.37 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 122.297 0.239 . . . . 0.0 111.553 173.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.84 -49.16 14.83 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 123.076 0.55 . . . . 0.0 110.943 -173.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.87 142.99 47.94 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 172.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -94.43 -178.65 4.65 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 172.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.499 ' SG ' ' NZ ' ' A' ' 32' ' ' LYS . 87.0 m -59.41 -39.82 84.66 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.942 0.497 . . . . 0.0 111.795 -177.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.9 m -54.04 -38.89 65.68 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -174.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -65.06 -40.95 95.46 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 122.768 0.427 . . . . 0.0 111.478 176.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.489 ' HB3' HD12 ' A' ' 35' ' ' LEU . 44.4 mt -74.49 -36.07 63.24 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.927 -174.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 66' ' ' CYS . 49.3 mt -64.82 -53.91 36.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 174.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.58 -35.87 77.14 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 114.499 -1.228 . . . . 0.0 111.381 -176.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.36 -44.96 81.75 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.085 0.554 . . . . 0.0 111.268 175.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -64.44 -37.59 88.06 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 122.32 0.248 . . . . 0.0 110.443 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.516 ' O ' ' HG2' ' A' ' 78' ' ' GLU . 9.4 mtpm? -62.98 -59.1 5.28 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.792 0.837 . . . . 0.0 109.409 177.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.24 -33.74 59.1 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.126 0.97 . . . . 0.0 111.816 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -66.89 -52.14 46.88 Favored 'General case' 0 C--O 1.256 1.418 0 C-N-CA 123.504 0.722 . . . . 0.0 110.558 176.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 71.0 m -63.37 -26.04 68.57 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.093 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 8.2 mm-40 -90.72 -27.79 18.72 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.68 0.792 . . . . 0.0 110.965 179.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -78.36 -16.27 57.85 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.189 0.596 . . . . 0.0 110.838 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 106.22 49.26 0.94 Allowed Glycine 0 C--N 1.352 1.425 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.946 178.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.5 t -41.12 121.95 1.68 Allowed 'General case' 0 CA--C 1.56 1.343 0 C-N-CA 124.832 1.253 . . . . 0.0 113.597 177.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -80.96 6.75 12.43 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 114.795 -1.093 . . . . 0.0 112.491 -175.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.491 ' HB2' ' HG ' ' A' ' 85' ' ' LEU . 12.8 m -67.92 -14.09 62.68 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.86 0.864 . . . . 0.0 112.195 175.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 95.88 16.93 37.04 Favored Glycine 0 C--N 1.351 1.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.182 -177.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.491 ' HG ' ' HB2' ' A' ' 83' ' ' SER . 46.7 mt -76.53 -38.72 54.65 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.087 0.555 . . . . 0.0 110.259 178.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -107.86 97.74 7.42 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 173.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -87.45 102.55 14.66 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.966 0 CA-C-O 118.695 -1.058 . . . . 0.0 112.066 -175.336 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -87.44 87.87 7.53 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 175.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -73.54 -17.86 61.15 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 121.097 0.475 . . . . 0.0 110.132 172.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.4 m -96.36 29.92 2.71 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.537 1.135 . . . . 0.0 109.949 174.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -60.31 -38.0 82.33 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.347 1.059 . . . . 0.0 113.037 -175.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -41.71 71.29 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.536 0.334 . . . . 0.0 110.937 -171.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -77.82 -26.08 49.28 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.825 0.45 . . . . 0.0 110.975 178.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -130.07 45.22 2.84 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.545 0.738 . . . . 0.0 109.943 -168.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -76.95 140.62 40.52 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 121.211 0.529 . . . . 0.0 111.046 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -121.84 145.26 48.24 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 106.78 -1.563 . . . . 0.0 106.78 175.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.97 1.47 48.7 Favored Glycine 0 N--CA 1.472 1.034 0 N-CA-C 111.669 -0.572 . . . . 0.0 111.669 -169.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -78.02 121.96 24.92 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 174.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.402 ' HE2' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -129.19 173.15 10.75 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.847 0.859 . . . . 0.0 109.382 -174.333 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.46 24.78 53.08 Favored Glycine 0 C--N 1.341 0.826 0 N-CA-C 114.631 0.612 . . . . 0.0 114.631 173.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.441 ' SG ' HD23 ' A' ' 85' ' ' LEU . 41.2 t -80.06 84.41 5.79 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 174.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 -95.06 -179.25 4.75 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.324 0.649 . . . . 0.0 110.43 -177.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.8 m -91.81 160.49 15.29 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 165.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 74' ' ' LYS . 45.9 mm -57.63 -43.66 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 123.497 0.498 . . . . 0.0 109.745 174.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.556 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 48.9 mt-10 -68.12 -37.05 80.7 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.13 -179.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -62.79 -42.97 99.94 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.4 t -58.6 -63.15 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.539 175.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.556 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.3 pt-20 -63.33 -42.08 98.94 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -169.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -75.89 -37.65 58.61 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.031 0.533 . . . . 0.0 111.333 -174.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -96.87 -0.05 48.39 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 118.789 -0.624 . . . . 0.0 112.134 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.507 HD21 ' HG2' ' A' ' 32' ' ' LYS . 6.3 mt -58.78 119.97 8.11 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 118.694 0.679 . . . . 0.0 110.95 177.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.11 -23.89 26.18 Favored Glycine 0 C--N 1.34 0.801 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.435 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.2 p -78.74 170.1 17.19 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -72.21 -17.01 61.95 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.95 0.5 . . . . 0.0 110.771 174.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -74.17 -36.38 64.07 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.668 0.787 . . . . 0.0 110.774 179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -147.45 80.48 9.13 Favored Pre-proline 0 N--CA 1.475 0.794 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.46 ' HG2' ' HB2' ' A' ' 34' ' ' ASP . 39.5 Cg_endo -68.74 146.82 67.82 Favored 'Trans proline' 0 C--N 1.373 1.822 0 C-N-CA 121.791 1.661 . . . . 0.0 111.192 174.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.695 ' HD3' ' SG ' ' A' ' 66' ' ' CYS . 56.2 mtmt -56.63 -39.59 73.92 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.249 1.02 . . . . 0.0 111.128 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -55.75 -45.16 78.09 Favored 'General case' 0 CA--C 1.553 1.064 0 O-C-N 124.191 0.932 . . . . 0.0 110.876 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.46 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 0.3 OUTLIER -64.98 -37.85 89.01 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 123.666 0.786 . . . . 0.0 111.523 -178.775 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.505 HD23 ' HB3' ' A' ' 69' ' ' LEU . 54.8 tp -60.97 -56.21 23.81 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.258 0.552 . . . . 0.0 109.926 177.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.431 HG23 ' NE2' ' A' ' 40' ' ' GLN . 60.3 mt -54.3 -40.04 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 114.558 -1.201 . . . . 0.0 111.165 178.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.6 m -58.88 -49.96 75.82 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 124.083 0.865 . . . . 0.0 110.685 176.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.418 ' HD2' HD12 ' A' ' 39' ' ' LEU . 66.9 t80 -56.12 -48.1 76.84 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 123.684 0.615 . . . . 0.0 110.414 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.418 HD12 ' HD2' ' A' ' 38' ' ' TYR . 10.7 mp -63.96 -43.34 96.07 Favored 'General case' 0 C--O 1.207 -1.142 0 O-C-N 123.852 0.72 . . . . 0.0 111.704 -176.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.431 ' NE2' HG23 ' A' ' 36' ' ' ILE . 1.4 pt20 -75.96 -19.03 59.07 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 121.55 -0.719 . . . . 0.0 112.218 -178.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.402 ' HD3' ' HE2' ' A' ' 13' ' ' MET . 50.6 mtpt -79.12 -49.29 12.84 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 123.125 0.266 . . . . 0.0 111.134 172.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.78 -45.27 12.53 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.335 0.254 . . . . 0.0 110.818 -171.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.93 152.11 33.38 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.733 0.413 . . . . 0.0 111.19 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -75.71 156.8 34.34 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 124.121 0.969 . . . . 0.0 109.203 174.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.16 -31.66 32.32 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.9 0.88 . . . . 0.0 113.229 -169.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.12 79.39 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.549 1.14 . . . . 0.0 112.335 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -63.45 -40.65 97.71 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.467 -177.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' A' ' 53' ' ' LEU . 1.7 mm? -75.68 -29.9 59.19 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.616 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 -76.38 -14.76 60.06 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.746 0.419 . . . . 0.0 110.895 174.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -78.34 -58.54 3.2 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.241 0.616 . . . . 0.0 109.504 169.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -86.16 4.97 36.14 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.337 0.655 . . . . 0.0 112.709 -173.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.28 22.98 5.22 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 125.053 1.341 . . . . 0.0 112.087 175.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.475 ' HB2' HD11 ' A' ' 48' ' ' LEU . 18.2 mt -90.97 7.46 40.15 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.834 0.853 . . . . 0.0 111.462 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -82.9 -16.42 47.59 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -173.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.32 -146.4 7.58 Favored Glycine 0 N--CA 1.479 1.522 0 CA-C-O 120.176 -0.235 . . . . 0.0 112.817 -175.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.9 t -80.29 126.44 31.14 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 173.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.462 ' HA ' HD13 ' A' ' 60' ' ' ILE . 32.3 t-20 -58.71 -27.05 64.51 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.876 0.87 . . . . 0.0 111.857 -171.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -61.32 -52.58 64.08 Favored 'General case' 0 C--O 1.249 1.069 0 C-N-CA 123.843 0.857 . . . . 0.0 111.627 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -67.33 -26.24 66.4 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.43 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 57' ' ' ASN . 45.9 mt -78.64 -52.74 15.02 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.943 0 C-N-CA 122.635 0.374 . . . . 0.0 110.631 -178.079 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -58.68 -34.45 71.29 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.591 -0.693 . . . . 0.0 111.198 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -78.19 -55.09 5.54 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.797 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -90.82 -33.43 15.69 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.281 0.632 . . . . 0.0 112.535 -167.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -78.21 119.57 21.78 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -60.11 146.6 42.53 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 123.812 0.695 . . . . 0.0 111.271 -174.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.695 ' SG ' ' HD3' ' A' ' 32' ' ' LYS . 20.6 m -54.83 -42.01 71.4 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 123.863 0.727 . . . . 0.0 110.197 177.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.485 ' HA ' HD12 ' A' ' 70' ' ' ILE . 17.0 m -55.87 -40.33 72.77 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.38 1.072 . . . . 0.0 111.941 176.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -68.83 -36.82 78.67 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.528 0.731 . . . . 0.0 110.5 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.505 ' HB3' HD23 ' A' ' 35' ' ' LEU . 72.0 mt -70.09 -39.71 75.39 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.859 0.864 . . . . 0.0 111.197 -179.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 67' ' ' SER . 28.2 mt -58.27 -51.8 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 172.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.23 -35.88 67.85 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 124.42 1.075 . . . . 0.0 111.448 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.34 -54.26 26.61 Favored 'General case' 0 CA--C 1.552 1.05 0 O-C-N 123.631 0.582 . . . . 0.0 111.341 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.416 ' HB2' HD13 ' A' ' 35' ' ' LEU . 77.1 t80 -62.37 -35.61 79.71 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 123.511 0.724 . . . . 0.0 111.148 178.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' HA ' HD12 ' A' ' 18' ' ' ILE . 33.4 ttmt -67.61 -50.12 59.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.688 -1.142 . . . . 0.0 108.496 -174.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.87 -31.37 72.52 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.021 -1.445 . . . . 0.0 111.242 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -64.1 -51.58 63.33 Favored 'General case' 0 C--O 1.252 1.222 0 C-N-CA 124.155 0.982 . . . . 0.0 110.89 178.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 86' ' ' ASN . 69.5 m -65.99 -41.62 90.86 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.88 179.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -66.87 -30.34 70.49 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.395 0.678 . . . . 0.0 110.947 176.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -69.17 -30.95 69.28 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.617 0.767 . . . . 0.0 110.375 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.426 ' HA2' ' HB2' ' A' ' 86' ' ' ASN . . . 103.08 44.6 1.72 Allowed Glycine 0 C--N 1.344 1.021 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.715 177.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.5 t -44.26 150.75 0.28 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.849 1.259 . . . . 0.0 113.892 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -64.57 -10.8 28.64 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.453 1.101 . . . . 0.0 112.23 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.2 m -69.01 -13.23 62.33 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.498 1.119 . . . . 0.0 112.059 173.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 97.04 -1.94 61.28 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 116.487 -0.324 . . . . 0.0 113.365 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.441 HD23 ' SG ' ' A' ' 15' ' ' CYS . 84.3 mt -85.55 114.98 22.98 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.041 0.536 . . . . 0.0 109.707 179.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.461 ' HA ' ' O ' ' A' ' 77' ' ' CYS . 4.5 t-20 -153.65 127.69 8.99 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.195 0.598 . . . . 0.0 110.785 173.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -128.23 119.49 25.3 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 107.513 -1.292 . . . . 0.0 107.513 169.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.081 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 -177.234 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 ptp . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 120.704 0.287 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.22 90.68 2.84 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 175.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -93.31 -10.65 34.7 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.078 0.551 . . . . 0.0 111.921 -178.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.8 t -75.75 -0.87 22.45 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.125 0.57 . . . . 0.0 112.092 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.587 ' HA ' ' HB3' ' A' ' 8' ' ' LYS . 1.6 m-20 -66.91 0.95 2.13 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.072 0.949 . . . . 0.0 112.682 175.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -51.06 -62.91 1.32 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.936 0.894 . . . . 0.0 110.147 164.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -92.1 -37.2 12.9 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.052 0.541 . . . . 0.0 110.314 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.587 ' HB3' ' HA ' ' A' ' 5' ' ' ASP . 22.6 ttmt -63.48 -8.6 9.79 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 124.414 1.086 . . . . 0.0 112.31 -178.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -42.99 124.42 3.16 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.439 1.496 . . . . 0.0 113.906 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -88.88 148.06 24.05 Favored 'General case' 0 C--O 1.246 0.915 0 CA-C-N 114.486 -1.234 . . . . 0.0 108.469 173.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.11 37.67 59.8 Favored Glycine 0 C--N 1.339 0.718 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -167.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.612 ' HB2' ' HZ2' ' A' ' 12' ' ' LYS . 4.5 ttmp? -63.52 111.78 2.49 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 124.516 1.126 . . . . 0.0 110.222 -175.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.6 ptm -63.85 162.14 14.17 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.899 177.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.96 20.82 79.09 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 115.532 0.973 . . . . 0.0 115.532 167.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.9 m -82.69 81.06 8.61 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 175.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.469 ' CE2' HD21 ' A' ' 30' ' ' LEU . 2.7 m-90 -100.18 170.9 8.14 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.208 0.603 . . . . 0.0 110.597 -178.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.7 m -82.34 156.19 24.37 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.1 164.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.537 HD13 ' HG2' ' A' ' 74' ' ' LYS . 45.6 mm -54.37 -40.4 48.42 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 C-N-CA 123.854 0.862 . . . . 0.0 110.885 177.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.584 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 38.2 mt-10 -70.66 -37.7 73.73 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.685 -178.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -61.6 -42.68 99.21 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-N 118.36 0.527 . . . . 0.0 109.632 176.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.8 t -56.31 -62.99 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.237 175.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.584 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 13.1 pt-20 -65.41 -35.89 82.29 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -169.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -78.46 -41.99 31.12 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.324 0.39 . . . . 0.0 110.842 -176.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -93.38 -6.84 46.28 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -175.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 25' ' ' LEU . 7.0 mt -62.91 115.99 4.88 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 118.909 0.777 . . . . 0.0 110.8 178.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 119.8 -16.14 10.33 Favored Glycine 0 C--N 1.344 0.978 0 CA-C-N 115.255 -0.884 . . . . 0.0 112.301 -178.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.3 p -94.01 -178.51 4.67 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.383 0.673 . . . . 0.0 110.53 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.95 -26.44 54.02 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.957 0.503 . . . . 0.0 110.399 170.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -66.44 -40.05 89.26 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.43 0.692 . . . . 0.0 111.068 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.469 HD21 ' CE2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -139.89 88.16 12.2 Favored Pre-proline 0 N--CA 1.472 0.654 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 172.695 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.541 ' HG2' ' HB2' ' A' ' 34' ' ' ASP . 35.5 Cg_endo -67.56 143.63 63.47 Favored 'Trans proline' 0 C--N 1.368 1.58 0 C-N-CA 121.917 1.745 . . . . 0.0 111.161 173.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -58.6 -32.11 68.67 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.236 1.015 . . . . 0.0 110.478 174.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.43 -53.88 48.25 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.104 173.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.541 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 8.9 t70 -68.67 -28.78 67.18 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.437 0.695 . . . . 0.0 111.568 -172.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.516 HD11 HD11 ' A' ' 39' ' ' LEU . 2.7 tm? -62.28 -57.44 11.37 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 173.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.452 HG21 ' NE2' ' A' ' 40' ' ' GLN . 65.5 mt -60.63 -34.45 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.437 -179.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.0 m -61.63 -47.52 85.02 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.283 1.033 . . . . 0.0 110.33 176.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.443 ' HD1' HD12 ' A' ' 39' ' ' LEU . 62.3 t80 -54.5 -49.52 69.96 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 176.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.516 HD11 HD11 ' A' ' 35' ' ' LEU . 11.1 mp -65.32 -40.0 93.16 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.883 -174.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.452 ' NE2' HG21 ' A' ' 36' ' ' ILE . 0.9 OUTLIER -78.24 -18.23 55.64 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.329 -0.857 . . . . 0.0 112.051 179.462 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -78.38 -52.66 8.25 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.624 0.37 . . . . 0.0 111.495 173.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -93.2 -36.26 12.71 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -168.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.11 154.03 23.4 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.09 155.78 39.91 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.742 0.817 . . . . 0.0 109.396 175.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.448 ' HA ' HD22 ' A' ' 48' ' ' LEU . . . -57.04 -28.04 62.19 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.579 0.752 . . . . 0.0 112.206 -171.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.12 -42.89 77.56 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.145 0.978 . . . . 0.0 112.141 177.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -65.14 -38.17 89.77 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.537 0.735 . . . . 0.0 110.407 -177.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.507 HD13 ' HB2' ' A' ' 53' ' ' LEU . 2.2 mm? -72.92 -31.96 64.99 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.248 178.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -71.57 -24.17 61.87 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.082 0.553 . . . . 0.0 111.016 174.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -75.68 -49.92 16.91 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.097 0.559 . . . . 0.0 110.748 176.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -94.21 9.23 38.79 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -174.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.405 ' HG3' ' NH2' ' A' ' 64' ' ' ARG . 11.6 mmpt? 68.28 20.49 8.74 Favored 'General case' 0 N--CA 1.497 1.922 0 C-N-CA 124.963 1.305 . . . . 0.0 111.834 176.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.509 ' HA ' HD13 ' A' ' 60' ' ' ILE . 21.5 mt -89.08 0.69 56.49 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 123.904 0.882 . . . . 0.0 111.596 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.8 t -75.13 -12.88 60.4 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 123.933 0.893 . . . . 0.0 113.005 -178.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -86.66 -151.55 19.56 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-O 120.212 -0.215 . . . . 0.0 113.174 -177.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.2 t -80.31 122.4 26.86 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.019 0.527 . . . . 0.0 110.032 175.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.445 ' HA ' HD11 ' A' ' 60' ' ' ILE . 37.3 t-20 -55.72 -30.38 61.08 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 124.292 1.037 . . . . 0.0 112.091 -170.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.07 -54.22 47.35 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.669 0.788 . . . . 0.0 111.373 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.0 m -65.74 -34.3 77.87 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.107 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.509 HD13 ' HA ' ' A' ' 53' ' ' LEU . 59.6 mt -67.21 -52.17 45.68 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.209 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.826 -178.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -67.88 -21.66 65.15 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 118.371 0.532 . . . . 0.0 111.1 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -67.85 -51.53 47.29 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.39 0.676 . . . . 0.0 111.722 173.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -82.62 -52.67 6.59 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 121.54 0.686 . . . . 0.0 110.81 -178.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.528 ' HD2' ' HG2' ' A' ' 68' ' ' GLN . 20.2 mmt180 -87.41 96.25 10.3 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.058 178.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -89.96 -163.14 0.96 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.197 0.599 . . . . 0.0 109.799 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.476 ' O ' HG13 ' A' ' 70' ' ' ILE . 20.8 p -45.92 -59.32 2.89 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.208 1.003 . . . . 0.0 113.592 -170.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.51 ' HA ' HD11 ' A' ' 70' ' ' ILE . 11.0 m -51.32 -44.43 61.96 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 124.266 1.026 . . . . 0.0 113.1 -172.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.528 ' HG2' ' HD2' ' A' ' 64' ' ' ARG . 23.5 tp60 -64.46 -43.35 94.51 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.556 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.429 ' HB3' HD12 ' A' ' 35' ' ' LEU . 80.5 mt -75.31 -28.9 59.87 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.714 -174.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.51 HD11 ' HA ' ' A' ' 67' ' ' SER . 19.2 mt -68.91 -46.14 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 173.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.38 -36.85 76.55 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.863 0.865 . . . . 0.0 111.793 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.56 -47.45 48.02 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.411 0.684 . . . . 0.0 111.519 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -61.44 -45.33 94.74 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.627 0.771 . . . . 0.0 110.234 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.537 ' HG2' HD13 ' A' ' 18' ' ' ILE . 58.0 mtmt -60.28 -51.37 69.85 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.792 175.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -51.47 -40.95 60.5 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.382 0.673 . . . . 0.0 111.551 -175.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -67.97 -55.1 13.95 Favored 'General case' 0 C--O 1.261 1.664 0 CA-C-O 121.63 0.728 . . . . 0.0 110.081 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 41.8 t -58.4 -31.44 67.69 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 114.52 -1.218 . . . . 0.0 112.274 -177.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 18.4 mm-40 -91.69 -29.47 16.83 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.155 0.982 . . . . 0.0 110.807 -177.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.67 -22.27 66.62 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 123.1 0.56 . . . . 0.0 110.811 176.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.47 45.33 1.56 Allowed Glycine 0 C--N 1.345 1.068 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.7 t -41.06 122.15 1.71 Allowed 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.689 1.596 . . . . 0.0 113.885 -171.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -60.26 -52.33 65.72 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 113.99 -1.459 . . . . 0.0 111.321 178.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.574 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . 46.5 m 52.12 13.96 0.31 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.716 1.206 . . . . 0.0 114.164 177.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 56.71 24.43 48.2 Favored Glycine 0 C--N 1.35 1.347 0 C-N-CA 123.421 0.534 . . . . 0.0 114.118 -173.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 87.4 mt -113.86 -68.45 0.93 Allowed 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -130.32 104.53 7.33 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.828 0.851 . . . . 0.0 108.826 -176.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.15 137.25 41.56 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 177.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.617 0 CA-C-O 119.552 -0.582 . . . . 0.0 113.019 -179.081 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.5 tpt . . . . . 0 N--CA 1.488 1.455 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.75 121.28 42.84 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.058 0.543 . . . . 0.0 110.145 173.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -100.42 16.46 24.46 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.752 0.821 . . . . 0.0 109.768 174.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.1 m -68.74 -36.22 78.1 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.326 0.65 . . . . 0.0 111.194 178.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.643 ' HA ' ' HB2' ' A' ' 8' ' ' LYS . 5.8 m-20 -99.74 24.28 8.56 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.78 0.832 . . . . 0.0 112.071 176.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -73.28 -49.38 27.94 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.965 0.506 . . . . 0.0 109.898 177.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -90.36 -27.01 19.64 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.628 0.771 . . . . 0.0 109.76 175.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.643 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 0.4 OUTLIER -86.32 10.27 15.4 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.633 1.173 . . . . 0.0 110.942 -176.189 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -54.27 144.03 21.44 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.146 1.378 . . . . 0.0 112.176 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -70.24 150.26 46.61 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.241 0.616 . . . . 0.0 110.4 177.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.05 40.51 1.96 Allowed Glycine 0 C--N 1.342 0.889 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -166.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.565 ' HE3' HD22 ' A' ' 85' ' ' LEU . 4.0 mptp? -64.54 95.07 0.13 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.003 0.921 . . . . 0.0 109.99 -176.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.36 144.84 56.87 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.219 177.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.21 16.3 80.67 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 115.073 0.789 . . . . 0.0 115.073 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.0 t -86.75 78.73 9.04 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 177.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -90.38 177.62 6.34 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.929 0.892 . . . . 0.0 111.391 -173.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.3 m -83.24 154.87 23.97 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.042 165.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 43.9 mm -58.79 -43.19 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 123.175 0.59 . . . . 0.0 110.79 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.56 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 40.7 mt-10 -69.83 -32.6 71.1 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.64 -179.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -64.97 -42.72 94.31 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 175.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.0 t -56.47 -63.11 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.209 175.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.56 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.1 pt-20 -62.82 -43.94 97.48 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -170.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -74.9 -32.9 61.95 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 122.733 0.413 . . . . 0.0 111.166 -174.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -96.49 -6.13 37.91 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 118.506 -0.759 . . . . 0.0 112.411 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.408 HD22 ' HG2' ' A' ' 32' ' ' LYS . 11.2 mt -61.51 113.89 2.93 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 119.252 0.933 . . . . 0.0 111.527 177.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.98 -15.6 25.88 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.919 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.4 p -79.41 172.5 13.71 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 117.181 0.491 . . . . 0.0 110.672 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -68.2 -29.58 68.47 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.026 171.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -71.24 -33.96 70.33 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.824 0.85 . . . . 0.0 111.922 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.11 81.95 7.95 Favored Pre-proline 0 N--CA 1.476 0.83 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 178.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.42 ' HG2' ' HB2' ' A' ' 34' ' ' ASP . 29.5 Cg_endo -64.32 151.6 84.78 Favored 'Trans proline' 0 C--N 1.367 1.53 0 C-N-CA 122.207 1.938 . . . . 0.0 111.358 171.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.408 ' HG2' HD22 ' A' ' 25' ' ' LEU . 54.4 mtmt -60.14 -36.12 76.81 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.305 0.642 . . . . 0.0 111.039 176.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -49.78 -43.19 48.1 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.12 0.968 . . . . 0.0 111.397 174.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.42 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 31.7 t70 -73.27 -34.92 66.06 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.362 1.065 . . . . 0.0 111.993 -172.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.544 ' HB3' HD21 ' A' ' 69' ' ' LEU . 2.8 tm? -64.31 -48.59 75.04 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 174.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.528 HG22 ' HB3' ' A' ' 53' ' ' LEU . 81.3 mt -57.8 -39.82 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.711 177.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.8 m -62.67 -46.9 86.04 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.864 0.865 . . . . 0.0 111.158 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -58.08 -46.33 85.64 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.3 mp -62.64 -44.2 96.87 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.376 -177.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.465 ' HA ' HD23 ' A' ' 48' ' ' LEU . 1.4 pt20 -73.94 -18.8 60.84 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -178.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -79.91 -55.04 5.26 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 122.425 0.29 . . . . 0.0 111.302 173.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -85.85 -20.42 29.14 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -168.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.471 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . . . -92.85 173.77 7.58 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.545 0.688 . . . . 0.0 112.114 174.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.88 157.13 18.54 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 114.031 -1.441 . . . . 0.0 108.366 167.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.61 -28.2 44.9 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.884 0.874 . . . . 0.0 112.976 -173.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.82 -41.25 77.49 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.425 1.09 . . . . 0.0 112.612 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -65.24 -36.93 85.65 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.669 0.788 . . . . 0.0 110.794 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 40' ' ' GLN . 2.1 mm? -79.83 -30.24 40.35 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.649 -177.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -69.3 -30.94 69.12 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 172.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -66.78 -56.94 8.21 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.907 0.883 . . . . 0.0 110.846 177.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -85.16 4.09 36.04 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.153 0.581 . . . . 0.0 112.112 -177.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 69.38 23.12 6.25 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 125.133 1.373 . . . . 0.0 111.755 175.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.528 ' HB3' HG22 ' A' ' 36' ' ' ILE . 22.0 mt -86.92 9.74 18.41 Favored 'General case' 0 CA--C 1.564 1.501 0 C-N-CA 124.683 1.193 . . . . 0.0 111.693 177.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -79.4 -4.85 52.99 Favored 'General case' 0 CA--C 1.565 1.524 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -92.33 -140.97 9.88 Favored Glycine 0 N--CA 1.487 2.091 0 CA-C-O 120.072 -0.293 . . . . 0.0 113.554 -176.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.5 t -95.97 125.75 40.74 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 170.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.434 ' HA ' HD11 ' A' ' 60' ' ' ILE . 4.7 m-20 -51.85 -25.19 7.32 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 124.449 1.1 . . . . 0.0 113.691 -171.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 61' ' ' ARG . 14.2 tmtt? -66.8 -56.09 11.97 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.831 0.852 . . . . 0.0 110.62 177.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.9 m -72.88 -27.61 62.01 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.826 -177.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' A' ' 53' ' ' LEU . 70.1 mt -64.66 -59.51 4.08 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.127 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 173.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 15.2 ptt180 -59.88 -25.78 65.35 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 122.884 0.474 . . . . 0.0 111.108 -175.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.06 -53.63 35.88 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 122.841 0.456 . . . . 0.0 110.119 171.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -85.13 1.43 47.95 Favored 'General case' 0 N--CA 1.499 1.977 0 C-N-CA 123.391 0.676 . . . . 0.0 112.321 -178.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.521 ' HE ' ' HA ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -132.48 97.27 4.04 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -176.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -69.03 171.91 7.48 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.397 0.679 . . . . 0.0 110.947 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.51 ' O ' HG13 ' A' ' 70' ' ' ILE . 24.1 p -52.82 -43.65 66.12 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.77 179.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.1 m -47.33 -51.78 18.4 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.659 1.184 . . . . 0.0 112.638 -179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -44.29 96.31 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.605 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.544 HD21 ' HB3' ' A' ' 35' ' ' LEU . 11.1 mp -69.7 -32.37 70.92 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.787 0.835 . . . . 0.0 112.889 -178.322 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 66' ' ' CYS . 30.1 mt -66.41 -53.63 34.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 177.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.04 -32.94 71.38 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 124.424 1.077 . . . . 0.0 111.683 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.49 -50.02 64.64 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.261 0.625 . . . . 0.0 111.679 176.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -68.35 -32.62 72.85 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.637 0.775 . . . . 0.0 110.611 -178.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.447 ' HZ2' ' HB3' ' A' ' 74' ' ' LYS . 9.7 mtpm? -65.4 -59.74 3.7 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 176.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.57 -26.79 56.18 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 124.119 0.968 . . . . 0.0 112.081 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CE1' ' HB3' ' A' ' 43' ' ' ALA . 4.5 t80 -68.57 -58.53 4.15 Favored 'General case' 0 C--O 1.252 1.187 0 C-N-CA 124.028 0.931 . . . . 0.0 110.58 177.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 35.1 t -70.02 -25.5 63.6 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.492 -176.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -86.4 -25.11 25.46 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.015 0.926 . . . . 0.0 110.851 178.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -67.56 -27.79 67.24 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 168.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.82 45.75 1.87 Allowed Glycine 0 C--N 1.347 1.175 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.7 t -41.31 141.54 0.68 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.097 1.359 . . . . 0.0 113.889 -172.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.442 ' HD2' ' HA3' ' A' ' 88' ' ' GLY . 46.2 mtmt -57.92 -66.23 0.51 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.001 177.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.6 m 50.57 20.31 0.7 Allowed 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.716 1.206 . . . . 0.0 113.178 -177.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.643 ' HA2' ' HG3' ' A' ' 8' ' ' LYS . . . 66.5 17.74 66.97 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 114.878 0.711 . . . . 0.0 114.878 -175.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.565 HD22 ' HE3' ' A' ' 12' ' ' LYS . 70.9 mt -77.2 -30.64 54.81 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.054 0.941 . . . . 0.0 109.911 175.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -136.9 -177.49 4.77 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.395 1.078 . . . . 0.0 110.328 -177.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -62.42 134.11 55.98 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.399 1.079 . . . . 0.0 110.416 175.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.442 ' HA3' ' HD2' ' A' ' 82' ' ' LYS . . . . . . . . 0 CA--C 1.532 1.126 0 CA-C-O 118.79 -1.006 . . . . 0.0 112.652 -177.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.2 ttp . . . . . 0 N--CA 1.483 1.209 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.491 ' HE2' ' HB3' ' A' ' 4' ' ' SER . 22.0 tptm -86.52 87.69 7.49 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.81 -31.74 72.79 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.165 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.491 ' HB3' ' HE2' ' A' ' 2' ' ' LYS . 40.5 t -57.76 -39.64 77.86 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.725 1.21 . . . . 0.0 111.73 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.514 ' HA ' ' HB3' ' A' ' 8' ' ' LYS . 1.6 m-20 -99.52 20.13 14.44 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -176.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -70.88 -56.82 5.43 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 121.268 0.556 . . . . 0.0 110.081 177.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.27 -17.19 23.92 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.172 0.989 . . . . 0.0 110.425 176.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.514 ' HB3' ' HA ' ' A' ' 5' ' ' ASP . 40.8 tttm -90.99 65.35 5.61 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 167.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -54.67 132.63 45.94 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.136 -175.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -132.9 155.44 49.06 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.906 0.883 . . . . 0.0 109.616 -170.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.04 39.7 9.15 Favored Glycine 0 C--N 1.348 1.216 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -173.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.542 ' HE3' ' HG ' ' A' ' 85' ' ' LEU . 61.1 mttm -65.04 122.11 16.26 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.003 0.921 . . . . 0.0 110.503 -174.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.4 ptm -96.74 163.84 12.83 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.28 178.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.469 ' HA2' ' CZ2' ' A' ' 16' ' ' TRP . . . 78.51 17.09 78.34 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 114.446 -1.252 . . . . 0.0 115.867 166.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.2 m -90.13 80.2 6.34 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 117.505 0.652 . . . . 0.0 109.571 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.469 ' CZ2' ' HA2' ' A' ' 14' ' ' GLY . 2.9 m-90 -100.25 173.71 6.48 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.009 0.924 . . . . 0.0 109.61 178.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.6 m -82.65 159.66 22.62 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 168.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.508 HD12 ' HG2' ' A' ' 74' ' ' LYS . 49.3 mm -60.69 -47.9 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 123.073 0.549 . . . . 0.0 111.156 -176.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.618 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 48.7 mt-10 -68.8 -30.61 69.22 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.439 -177.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -62.53 -44.94 95.13 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 174.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.7 t -59.42 -62.16 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.829 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.618 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 13.5 pt-20 -63.79 -35.12 79.57 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 112.7 0.629 . . . . 0.0 112.7 -169.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -77.97 -45.44 23.88 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 122.437 0.295 . . . . 0.0 111.042 -178.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -84.43 -8.53 58.94 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.47 -175.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mt -63.71 119.27 9.6 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 118.178 0.445 . . . . 0.0 109.973 174.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.86 -21.65 11.09 Favored Glycine 0 C--N 1.338 0.655 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.501 -177.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.7 p -84.56 -176.74 6.37 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 171.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -96.69 -8.29 31.83 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 109.965 -0.384 . . . . 0.0 109.965 171.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -68.95 -46.3 68.55 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.37 82.88 62.1 Favored Pre-proline 0 N--CA 1.477 0.88 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 168.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.68 148.38 46.91 Favored 'Trans proline' 0 C--N 1.368 1.571 0 C-N-CA 121.609 1.539 . . . . 0.0 110.732 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -56.06 -40.26 73.28 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.59 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -57.19 -43.34 82.62 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.005 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.482 ' HA ' ' HB ' ' A' ' 37' ' ' THR . 26.2 t70 -78.65 -24.55 45.13 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -173.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.83 -51.0 53.52 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 173.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.9 mt -59.4 -39.01 78.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.235 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.482 ' HB ' ' HA ' ' A' ' 34' ' ' ASP . 16.2 m -58.63 -46.69 86.54 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 124.424 1.077 . . . . 0.0 110.684 175.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -55.3 -48.59 73.87 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 123.401 0.438 . . . . 0.0 110.172 176.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.8 mt -64.09 -40.17 95.64 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.669 -174.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.505 ' HA ' HD21 ' A' ' 48' ' ' LEU . 1.4 pt20 -81.36 -18.56 45.19 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -178.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -78.75 -55.43 5.18 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 120.899 0.381 . . . . 0.0 110.821 172.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -89.2 -18.65 26.69 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -165.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.49 175.24 5.54 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 118.565 0.621 . . . . 0.0 112.003 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -81.84 161.04 23.34 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.924 0.889 . . . . 0.0 110.212 175.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.29 -33.69 67.92 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.361 0.665 . . . . 0.0 110.717 177.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.86 -41.58 70.99 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.504 1.122 . . . . 0.0 112.071 177.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -66.93 -38.98 87.2 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.855 0.862 . . . . 0.0 110.592 -176.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.505 HD21 ' HA ' ' A' ' 40' ' ' GLN . 1.9 mm? -70.38 -45.02 66.84 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.107 178.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -60.31 -31.11 69.96 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.112 0.565 . . . . 0.0 110.973 176.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -69.3 -46.84 66.19 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.242 1.017 . . . . 0.0 110.718 177.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -96.59 13.11 29.29 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.168 0.587 . . . . 0.0 112.339 -178.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt 63.8 21.91 12.85 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 124.519 1.128 . . . . 0.0 112.424 175.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.498 ' HB2' HD13 ' A' ' 48' ' ' LEU . 13.4 mt -91.31 16.89 9.17 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 124.646 1.178 . . . . 0.0 111.378 178.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.3 t -81.71 -16.58 50.76 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.133 0.573 . . . . 0.0 112.438 -176.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.83 -168.58 39.59 Favored Glycine 0 N--CA 1.483 1.768 0 CA-C-O 119.823 -0.432 . . . . 0.0 112.558 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.2 t -71.59 136.28 47.34 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 117.685 0.742 . . . . 0.0 110.131 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.581 ' HA ' HD12 ' A' ' 60' ' ' ILE . 35.9 t-20 -59.03 -28.03 66.04 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.39 1.076 . . . . 0.0 112.042 -169.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -65.59 -48.53 72.0 Favored 'General case' 0 C--O 1.252 1.232 0 C-N-CA 123.621 0.768 . . . . 0.0 110.744 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.5 t -64.71 -37.81 88.85 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.176 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 57' ' ' ASN . 56.8 mt -65.05 -50.94 72.08 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 C-N-CA 122.926 0.491 . . . . 0.0 110.568 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -65.13 -21.73 66.83 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.519 0.328 . . . . 0.0 110.97 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.19 -59.47 2.69 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 170.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -76.09 -44.3 39.43 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.043 0.449 . . . . 0.0 111.027 -169.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.62 124.28 28.0 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.753 0.821 . . . . 0.0 109.089 172.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -86.94 -179.05 6.44 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.224 174.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.451 ' O ' HG13 ' A' ' 70' ' ' ILE . 26.1 p -52.13 -43.51 64.04 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.797 0.839 . . . . 0.0 110.944 178.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.6 m -49.86 -46.38 51.38 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.92 1.288 . . . . 0.0 113.025 -176.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -65.62 -40.26 92.38 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.278 0.631 . . . . 0.0 111.071 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.2 mp -70.61 -37.79 73.9 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.739 -1.118 . . . . 0.0 111.394 -177.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.545 HG22 ' HE2' ' A' ' 74' ' ' LYS . 47.2 mt -66.89 -47.57 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.87 90.21 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.716 0.806 . . . . 0.0 111.439 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.58 -44.22 71.24 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.508 0.723 . . . . 0.0 112.262 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -67.8 -45.07 75.81 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 122.75 0.42 . . . . 0.0 110.102 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.545 ' HE2' HG22 ' A' ' 70' ' ' ILE . 55.0 mtmt -59.52 -46.7 88.09 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.982 175.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.549 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 35.7 t70 -53.75 -49.58 67.88 Favored 'General case' 0 C--O 1.195 -1.814 0 O-C-N 124.267 0.979 . . . . 0.0 109.805 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -63.62 -48.99 75.05 Favored 'General case' 0 C--O 1.251 1.162 0 C-N-CA 124.969 1.308 . . . . 0.0 111.715 -175.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 71.2 m -58.27 -40.74 82.68 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.282 0.633 . . . . 0.0 111.057 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -82.98 -22.72 33.6 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.113 0.965 . . . . 0.0 111.485 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.549 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 0.6 OUTLIER -73.73 -25.13 60.05 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 124.633 1.173 . . . . 0.0 110.239 -178.036 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 106.69 48.8 0.94 Allowed Glycine 0 C--N 1.346 1.132 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.546 -172.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.6 t -40.43 135.42 1.51 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.178 1.391 . . . . 0.0 113.516 -176.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -112.17 36.7 3.25 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.33 -167.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.4 m -44.65 -19.14 0.02 OUTLIER 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 125.438 1.495 . . . . 0.0 113.816 174.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.72 32.45 0.51 Allowed Glycine 0 C--N 1.352 1.417 0 C-N-CA 123.008 0.337 . . . . 0.0 113.513 169.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.542 ' HG ' ' HE3' ' A' ' 12' ' ' LYS . 95.8 mt -126.74 -62.13 1.15 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.826 1.251 . . . . 0.0 107.89 171.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -84.9 142.43 29.7 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.097 176.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -85.11 116.25 23.38 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 172.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.178 0 CA-C-O 119.013 -0.882 . . . . 0.0 111.433 177.036 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -128.31 92.47 3.45 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.1 0.96 . . . . 0.0 108.839 176.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -100.16 -27.69 13.4 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.52 0.728 . . . . 0.0 111.104 -172.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.7 t -68.38 -54.49 16.88 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.976 0.511 . . . . 0.0 110.546 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.444 ' HA ' ' HB3' ' A' ' 8' ' ' LYS . 5.0 p-10 -79.49 -1.28 36.81 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.688 0.795 . . . . 0.0 112.071 178.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -64.92 -59.0 4.67 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.935 0.894 . . . . 0.0 110.726 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -78.91 -22.97 45.09 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.152 178.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.444 ' HB3' ' HA ' ' A' ' 5' ' ' ASP . 55.6 tttm -82.08 -7.87 59.64 Favored 'General case' 0 CA--C 1.56 1.335 0 C-N-CA 123.862 0.865 . . . . 0.0 110.924 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -65.08 154.42 37.92 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.342 1.057 . . . . 0.0 111.202 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.84 154.23 9.64 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.494 0.717 . . . . 0.0 110.815 172.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.75 38.56 4.64 Favored Glycine 0 N--CA 1.468 0.797 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -169.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -65.25 126.91 29.64 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.603 1.161 . . . . 0.0 110.853 -177.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.24 148.34 8.69 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.368 1.067 . . . . 0.0 111.704 -174.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.26 35.3 53.15 Favored Glycine 0 C--N 1.338 0.674 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.523 -176.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.8 p -95.17 89.34 5.49 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -96.96 176.2 6.05 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.338 0.655 . . . . 0.0 110.363 -174.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.7 m -85.75 157.51 20.25 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.58 0.752 . . . . 0.0 109.143 170.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.52 HD12 ' HG2' ' A' ' 74' ' ' LYS . 46.8 mm -61.22 -49.45 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 123.049 0.54 . . . . 0.0 110.593 -178.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.601 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 50.4 mt-10 -72.37 -24.16 61.23 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.95 -178.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -63.13 -51.6 65.83 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 170.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.3 t -55.58 -58.45 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.692 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.601 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.8 pt-20 -64.43 -44.04 92.41 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -173.07 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -77.59 -22.91 50.17 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.896 0.478 . . . . 0.0 112.069 -174.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -102.5 -7.78 21.61 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 118.849 -0.596 . . . . 0.0 111.519 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.3 mt -59.34 113.4 2.15 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 118.71 0.686 . . . . 0.0 111.254 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.52 -2.08 21.92 Favored Glycine 0 C--N 1.343 0.924 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.957 -178.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.8 p -102.17 -173.52 2.36 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 117.606 0.703 . . . . 0.0 110.547 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -79.77 -27.12 40.47 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.669 0.788 . . . . 0.0 110.246 171.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -74.29 -32.89 63.07 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.674 0.789 . . . . 0.0 111.509 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.41 83.71 5.37 Favored Pre-proline 0 N--CA 1.474 0.729 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 173.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.98 156.64 38.72 Favored 'Trans proline' 0 CA--C 1.547 1.159 0 C-N-CA 122.081 1.854 . . . . 0.0 111.59 172.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -56.19 -44.99 79.97 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.833 0.853 . . . . 0.0 111.465 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -61.0 -41.64 96.91 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.492 0.717 . . . . 0.0 111.689 -176.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -63.46 -40.65 97.7 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.559 0.744 . . . . 0.0 111.327 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.462 HD11 ' HB2' ' A' ' 73' ' ' TYR . 57.8 tp -60.48 -55.76 29.55 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.388 175.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.468 HG23 ' NE2' ' A' ' 40' ' ' GLN . 66.5 mt -51.91 -39.24 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 124.511 1.124 . . . . 0.0 111.243 177.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.5 m -63.07 -48.34 79.07 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.091 0.956 . . . . 0.0 111.313 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -56.83 -43.9 81.53 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 176.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 35' ' ' LEU . 9.3 mp -64.67 -38.94 92.7 Favored 'General case' 0 C--O 1.212 -0.875 0 C-N-CA 123.18 0.592 . . . . 0.0 111.508 -176.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.468 ' NE2' HG23 ' A' ' 36' ' ' ILE . 1.1 pt20 -83.55 -19.09 36.26 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.885 -0.509 . . . . 0.0 112.133 -179.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -81.12 -44.14 18.37 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 120.566 0.222 . . . . 0.0 110.8 174.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -91.11 -40.79 11.4 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.902 0.481 . . . . 0.0 111.884 -172.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.48 156.8 19.97 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 121.02 0.438 . . . . 0.0 111.291 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -80.23 162.59 24.56 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.768 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.63 -37.94 43.3 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 124.255 1.022 . . . . 0.0 112.729 -174.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.2 -42.71 77.62 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.282 1.033 . . . . 0.0 112.439 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -64.33 -43.45 94.62 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.291 -176.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 40' ' ' GLN . 1.5 mm? -69.43 -36.51 76.73 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.424 179.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -67.4 -28.14 67.67 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.472 0.309 . . . . 0.0 111.418 176.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -73.96 -56.26 5.16 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.547 0.739 . . . . 0.0 110.07 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -86.13 11.83 10.98 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.344 0.658 . . . . 0.0 112.428 -175.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.431 ' HA ' ' HE3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER 70.91 19.97 5.55 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 125.121 1.368 . . . . 0.0 111.97 171.343 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.405 ' HB2' HD12 ' A' ' 48' ' ' LEU . 15.4 mt -90.74 4.18 52.29 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.283 1.033 . . . . 0.0 111.743 179.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -72.46 -14.59 61.72 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -177.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -81.63 -171.04 45.05 Favored Glycine 0 C--N 1.347 1.19 0 N-CA-C 112.405 -0.278 . . . . 0.0 112.405 175.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.6 t -74.45 138.3 43.17 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 177.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.51 ' HA ' HD12 ' A' ' 60' ' ' ILE . 4.1 m-20 -57.18 -26.01 59.92 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.156 0.982 . . . . 0.0 112.935 -175.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -56.82 -55.0 40.01 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.91 0.884 . . . . 0.0 110.017 175.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.0 m -65.36 -39.18 92.01 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.409 -1.269 . . . . 0.0 111.237 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 57' ' ' ASN . 31.3 mt -66.69 -53.06 38.73 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 123.165 0.291 . . . . 0.0 111.111 -175.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 9.2 ptm180 -64.61 -40.39 95.41 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.3 0.24 . . . . 0.0 110.774 -178.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -74.12 -43.62 56.84 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 122.515 0.326 . . . . 0.0 111.088 -173.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -82.26 -53.74 5.81 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -176.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.429 HH11 ' HA ' ' A' ' 60' ' ' ILE . 2.9 mpt_? -80.59 126.85 31.77 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.881 -173.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -73.21 178.32 4.53 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.229 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.425 ' O ' HG13 ' A' ' 70' ' ' ILE . 26.6 p -60.93 -44.12 97.67 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 122.809 0.444 . . . . 0.0 112.002 -174.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.492 ' HA ' HD11 ' A' ' 70' ' ' ILE . 50.1 m -54.67 -37.62 65.96 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -173.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -58.97 -46.01 89.13 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.858 0.837 . . . . 0.0 110.519 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.42 ' HB3' HD22 ' A' ' 35' ' ' LEU . 41.2 mt -78.13 -33.43 50.45 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 114.186 -1.37 . . . . 0.0 111.064 -172.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.492 HD11 ' HA ' ' A' ' 67' ' ' SER . 43.1 mt -63.21 -50.43 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 173.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.88 -38.6 76.05 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.159 0.984 . . . . 0.0 111.19 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.3 -48.52 67.4 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.051 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.462 ' HB2' HD11 ' A' ' 35' ' ' LEU . 85.5 t80 -63.25 -44.66 94.54 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 122.9 0.48 . . . . 0.0 110.826 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.52 ' HG2' HD12 ' A' ' 18' ' ' ILE . 53.8 mtmt -57.74 -54.01 51.72 Favored 'General case' 0 C--O 1.208 -1.12 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.544 177.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 30.8 t70 -54.29 -45.09 72.45 Favored 'General case' 0 C--O 1.205 -1.274 0 O-C-N 124.213 0.946 . . . . 0.0 111.373 -176.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.64 -51.33 70.37 Favored 'General case' 0 C--O 1.253 1.245 0 C-N-CA 124.337 1.055 . . . . 0.0 110.689 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.678 ' SG ' ' HB2' ' A' ' 87' ' ' GLN . 48.2 t -61.28 -44.02 97.91 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 114.136 -1.393 . . . . 0.0 110.94 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -75.06 -24.24 58.2 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 125.411 1.485 . . . . 0.0 110.869 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 60.0 t60 -75.78 -19.38 59.04 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.301 1.041 . . . . 0.0 108.971 176.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.88 43.83 2.19 Favored Glycine 0 C--N 1.35 1.31 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 171.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.9 t -42.8 143.26 0.74 Allowed 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 115.427 1.64 . . . . 0.0 115.427 -163.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -63.05 -11.44 19.51 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 113.09 -1.868 . . . . 0.0 112.7 177.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.4 m -60.23 -35.71 76.07 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.068 0.947 . . . . 0.0 111.351 171.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.04 10.16 8.37 Favored Glycine 0 C--N 1.35 1.344 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.703 -175.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.8 mt -106.51 84.2 1.98 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.328 0.651 . . . . 0.0 110.096 -178.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -85.88 74.93 10.08 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 171.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.678 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . 14.2 mm-40 -125.12 148.98 48.31 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.282 -173.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 119.094 -0.837 . . . . 0.0 111.017 -176.865 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.9 tmm? . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -141.68 105.39 4.71 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.835 0.854 . . . . 0.0 109.21 175.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -94.94 -21.09 18.86 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.592 0.757 . . . . 0.0 109.142 167.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.5 m -71.01 -39.49 72.37 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.776 0.83 . . . . 0.0 111.897 -174.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -65.67 -22.5 66.64 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 123.552 0.741 . . . . 0.0 111.792 -176.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -57.39 -43.89 84.06 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.454 1.102 . . . . 0.0 110.453 173.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.401 ' HB3' ' HD2' ' A' ' 82' ' ' LYS . 30.2 mm-40 -91.63 -29.48 16.87 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.322 0.649 . . . . 0.0 110.637 178.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -118.24 73.18 0.89 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.654 1.182 . . . . 0.0 108.862 -174.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -67.46 148.7 51.19 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.701 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -105.42 152.89 22.42 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 173.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.9 38.34 19.89 Favored Glycine 0 C--N 1.344 1.01 0 N-CA-C 111.781 -0.528 . . . . 0.0 111.781 -173.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.608 ' HB2' ' HZ3' ' A' ' 12' ' ' LYS . 7.8 mtmp? -68.63 107.21 2.88 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.474 1.11 . . . . 0.0 111.589 -171.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -74.16 175.29 7.66 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.983 0.913 . . . . 0.0 110.64 175.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.24 23.03 46.08 Favored Glycine 0 C--N 1.346 1.116 0 N-CA-C 116.084 1.193 . . . . 0.0 116.084 164.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.2 m -88.23 90.96 8.6 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 177.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -102.41 173.04 6.53 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.777 0.831 . . . . 0.0 110.22 -176.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.2 m -86.72 164.92 16.46 Favored 'General case' 0 C--O 1.247 0.928 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 162.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.4 mm -59.47 -40.55 82.08 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 122.992 0.517 . . . . 0.0 110.557 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.497 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 46.4 mt-10 -61.11 -41.69 97.15 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.803 0.841 . . . . 0.0 112.777 -177.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -61.58 -41.44 97.4 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 118.407 0.549 . . . . 0.0 110.366 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.68 -60.95 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.993 177.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.497 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 10.7 pt-20 -65.93 -27.36 68.12 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -170.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -89.65 -38.02 14.21 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 122.329 0.252 . . . . 0.0 111.506 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -102.04 2.34 37.56 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.593 0.357 . . . . 0.0 111.784 -173.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.524 HD21 ' HG2' ' A' ' 32' ' ' LYS . 2.3 mt -65.03 120.53 12.8 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 120.805 0.336 . . . . 0.0 111.205 178.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.89 -21.12 16.49 Favored Glycine 0 C--N 1.339 0.719 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.849 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.0 p -89.86 -179.73 5.79 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.235 0.614 . . . . 0.0 109.816 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -80.14 -17.08 53.47 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.729 0.412 . . . . 0.0 110.408 173.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -71.3 -33.21 69.5 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.984 0.914 . . . . 0.0 110.47 177.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -151.32 85.99 4.86 Favored Pre-proline 0 N--CA 1.476 0.85 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 172.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.4 150.11 87.37 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 122.352 2.035 . . . . 0.0 112.071 173.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.524 ' HG2' HD21 ' A' ' 25' ' ' LEU . 55.8 mtmt -60.46 -37.84 82.3 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.294 172.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -65.99 -46.34 78.36 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.505 0.722 . . . . 0.0 109.871 -176.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.37 -40.29 93.76 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.422 1.089 . . . . 0.0 111.123 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.464 HD11 ' HB2' ' A' ' 73' ' ' TYR . 53.9 tp -62.46 -52.94 61.55 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.996 176.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.5 mt -55.11 -37.91 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 124.185 0.994 . . . . 0.0 111.294 176.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 86.9 m -66.57 -47.81 71.61 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.488 0.715 . . . . 0.0 110.303 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -56.98 -42.7 80.69 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.031 0.532 . . . . 0.0 110.299 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.56 -47.69 82.73 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.074 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.422 ' HA ' HD21 ' A' ' 48' ' ' LEU . 1.5 pt20 -74.03 -18.42 60.84 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -84.19 -40.45 18.13 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 175.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -96.23 -20.35 18.63 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -172.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.492 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . . . -90.07 170.47 10.3 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.779 0.8 . . . . 0.0 112.366 174.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -86.54 158.35 19.55 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 113.983 -1.462 . . . . 0.0 108.741 164.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.0 -28.85 64.79 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.532 0.733 . . . . 0.0 112.678 -169.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.53 -40.86 69.07 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.382 1.073 . . . . 0.0 112.25 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -63.38 -39.69 95.2 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.556 -176.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.462 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.3 mm? -79.21 -27.82 42.54 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.212 -177.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -76.37 -18.25 58.98 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.002 0.521 . . . . 0.0 110.738 173.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -78.51 -60.41 2.38 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 171.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -82.71 9.35 9.81 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.473 0.709 . . . . 0.0 112.433 -175.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? 65.34 21.56 11.97 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 124.326 1.05 . . . . 0.0 111.682 174.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.462 ' HB2' HD12 ' A' ' 48' ' ' LEU . 26.2 mt -86.01 5.96 30.99 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 123.881 0.872 . . . . 0.0 111.211 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.9 t -85.34 -6.46 59.23 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.185 0.594 . . . . 0.0 112.371 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.83 -152.36 7.44 Favored Glycine 0 C--N 1.354 1.545 0 N-CA-C 112.392 -0.283 . . . . 0.0 112.392 176.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.5 t -90.61 127.08 36.16 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 174.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.45 ' HA ' HD12 ' A' ' 60' ' ' ILE . 4.9 m-20 -54.03 -28.24 37.15 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 124.08 0.952 . . . . 0.0 113.344 -170.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -59.8 -55.36 35.23 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 123.564 0.746 . . . . 0.0 110.911 176.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 96.0 p -68.19 -43.51 77.96 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.055 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 57' ' ' ASN . 69.7 mt -54.24 -52.07 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.827 0.851 . . . . 0.0 111.372 -177.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.1 ptt85 -70.96 -27.1 63.49 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.443 0.464 . . . . 0.0 110.728 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -72.05 -33.29 67.84 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 122.318 0.247 . . . . 0.0 111.365 178.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -86.33 -37.54 18.38 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.675 0.39 . . . . 0.0 110.611 179.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 87.6 mtt-85 -97.89 125.12 42.63 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.195 0.598 . . . . 0.0 110.755 -178.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -78.23 -178.01 5.44 Favored 'General case' 0 C--O 1.248 1.009 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.344 171.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.424 ' O ' HG13 ' A' ' 70' ' ' ILE . 62.2 m -56.89 -43.45 81.34 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.12 -176.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.8 m -54.45 -43.05 71.31 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 124.093 0.957 . . . . 0.0 113.536 -171.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -63.47 -39.45 94.49 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.545 0.738 . . . . 0.0 111.676 178.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.457 ' HB3' HD21 ' A' ' 35' ' ' LEU . 58.1 mt -81.77 -29.98 32.55 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.107 -173.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.425 HG23 ' HD2' ' A' ' 74' ' ' LYS . 77.3 mt -59.22 -57.27 12.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 167.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.9 -33.65 70.77 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.445 1.098 . . . . 0.0 111.685 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.82 -48.28 74.96 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.174 0.59 . . . . 0.0 111.016 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.464 ' HB2' HD11 ' A' ' 35' ' ' LEU . 71.9 t80 -68.02 -33.43 74.59 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 122.919 0.488 . . . . 0.0 111.358 -179.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.425 ' HD2' HG23 ' A' ' 70' ' ' ILE . 59.4 mtpt -66.45 -55.89 13.56 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -55.87 -32.82 64.02 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.083 0.953 . . . . 0.0 111.251 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.492 ' CE1' ' HB3' ' A' ' 43' ' ' ALA . 5.8 t80 -66.16 -51.39 58.31 Favored 'General case' 0 C--O 1.253 1.288 0 C-N-CA 125.207 1.403 . . . . 0.0 111.309 178.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.518 ' O ' ' HA ' ' A' ' 86' ' ' ASN . 44.2 t -66.42 -44.54 82.63 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.686 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -66.48 -29.04 69.07 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.017 0.927 . . . . 0.0 110.868 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -67.55 -35.26 78.71 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.878 0.871 . . . . 0.0 110.081 174.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.38 45.67 2.31 Favored Glycine 0 C--N 1.346 1.126 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.116 177.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.1 t -42.83 155.57 0.05 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 125.05 1.34 . . . . 0.0 114.356 -176.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.401 ' HD2' ' HB3' ' A' ' 7' ' ' GLU . 49.7 mtmt -65.29 -13.73 59.11 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.967 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.3 t -66.68 -26.47 67.05 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 122.933 0.493 . . . . 0.0 110.787 170.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 102.0 4.91 50.89 Favored Glycine 0 N--CA 1.468 0.77 0 CA-C-N 116.516 -0.311 . . . . 0.0 112.704 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.6 mt -78.23 113.66 16.4 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 174.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.518 ' HA ' ' O ' ' A' ' 77' ' ' CYS . 2.5 t-20 -144.6 13.13 1.53 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.936 0.894 . . . . 0.0 109.875 176.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -77.2 96.78 4.61 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.898 0.879 . . . . 0.0 109.989 -172.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 CA-C-O 118.916 -0.935 . . . . 0.0 110.922 176.736 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.485 1.309 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -125.81 88.87 2.93 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 121.812 0.815 . . . . 0.0 110.904 -178.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -78.79 -26.73 44.44 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.599 177.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.3 p -62.64 -34.36 76.91 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.4 1.08 . . . . 0.0 111.323 176.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.78 -16.54 50.63 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.794 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -75.88 -38.82 57.47 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 173.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -68.72 -61.25 1.89 Allowed 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.733 174.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.497 ' HZ2' ' HB2' ' A' ' 8' ' ' LYS . 5.0 ttmp? -88.28 69.89 9.13 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 177.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -89.97 143.91 26.38 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.51 -1.223 . . . . 0.0 111.176 -174.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -92.55 159.17 15.62 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.73 1.212 . . . . 0.0 109.275 174.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.07 41.63 7.01 Favored Glycine 0 C--N 1.343 0.942 0 C-N-CA 121.28 -0.486 . . . . 0.0 112.782 175.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.532 ' HD2' HD13 ' A' ' 85' ' ' LEU . 19.4 mtpp -62.67 116.28 5.04 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.285 0.634 . . . . 0.0 110.511 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.423 ' SD ' ' HD3' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -66.74 127.34 32.08 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 123.6 0.563 . . . . 0.0 109.498 175.306 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.73 42.7 97.05 Favored Glycine 0 CA--C 1.528 0.854 0 O-C-N 124.009 0.818 . . . . 0.0 114.725 173.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.2 t -79.1 93.65 5.2 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 172.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -103.45 -178.77 3.76 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.19 0.596 . . . . 0.0 110.271 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.4 m -104.65 164.56 11.68 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.644 0.778 . . . . 0.0 109.484 166.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.5 mm -55.54 -42.3 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 123.81 0.844 . . . . 0.0 111.092 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.568 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 40.1 mt-10 -70.86 -35.76 72.53 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.153 -175.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -62.56 -42.96 99.87 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-O 121.414 0.626 . . . . 0.0 109.529 173.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.3 t -60.92 -57.52 11.7 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.722 178.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.568 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.9 pt-20 -63.97 -39.1 93.37 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.247 0.619 . . . . 0.0 112.318 -172.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -78.52 -37.0 44.12 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.299 -175.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -100.69 -5.03 27.11 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -173.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.493 HD23 ' HG2' ' A' ' 32' ' ' LYS . 3.4 mt -63.24 117.49 6.65 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-N 118.779 0.718 . . . . 0.0 111.37 -179.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.15 -17.39 22.01 Favored Glycine 0 C--N 1.344 1.017 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.559 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.8 p -83.15 -176.44 6.33 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 122.89 0.476 . . . . 0.0 109.997 176.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -90.19 -4.34 57.3 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.611 0.364 . . . . 0.0 110.571 171.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -79.67 -41.99 25.71 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.398 0.679 . . . . 0.0 109.692 173.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.68 85.81 29.67 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 172.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -69.08 145.7 61.93 Favored 'Trans proline' 0 C--N 1.367 1.504 0 C-N-CA 121.776 1.651 . . . . 0.0 111.112 174.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.493 ' HG2' HD23 ' A' ' 25' ' ' LEU . 54.4 mtmt -58.16 -38.46 76.68 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.698 0.799 . . . . 0.0 111.086 -178.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -54.33 -48.42 71.41 Favored 'General case' 0 N--CA 1.478 0.925 0 O-C-N 123.857 0.723 . . . . 0.0 111.513 175.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -69.85 -29.82 67.15 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.385 0.674 . . . . 0.0 111.535 -172.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.466 HD12 ' HB3' ' A' ' 69' ' ' LEU . 2.4 tm? -62.96 -52.62 62.3 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 172.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.454 HG12 HD23 ' A' ' 53' ' ' LEU . 70.5 mt -56.43 -39.28 60.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 CA-C-N 114.677 -1.147 . . . . 0.0 111.131 176.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 76.1 m -64.76 -48.82 73.14 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.853 0.861 . . . . 0.0 109.99 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -53.85 -48.65 69.78 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.069 0.548 . . . . 0.0 110.444 177.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.72 -39.55 93.84 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.632 -174.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -77.35 -18.25 57.56 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.896 -0.502 . . . . 0.0 112.088 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HD3' ' SD ' ' A' ' 13' ' ' MET . 31.0 mtpp -84.59 -34.81 23.09 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.536 0.334 . . . . 0.0 111.872 173.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -99.25 -22.28 15.69 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -172.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.91 179.62 4.28 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.128 0.571 . . . . 0.0 111.43 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -100.33 161.51 13.55 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.195 0.998 . . . . 0.0 109.843 175.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.48 -37.05 36.53 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 124.327 1.051 . . . . 0.0 113.601 -172.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.13 -42.38 80.81 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.019 0.928 . . . . 0.0 112.137 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -63.98 -39.42 94.08 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.487 -176.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.444 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.7 mm? -76.21 -34.23 59.26 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.711 -178.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -70.89 -22.27 62.29 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 116.82 -0.173 . . . . 0.0 111.069 175.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -73.82 -57.95 3.63 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.681 0.792 . . . . 0.0 109.978 173.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -85.72 9.77 15.43 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -173.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.474 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 11.2 mmpt? 70.05 19.99 6.63 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 124.739 1.215 . . . . 0.0 111.87 174.07 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.465 ' HA ' HD11 ' A' ' 60' ' ' ILE . 22.2 mt -90.3 4.08 51.78 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 124.461 1.104 . . . . 0.0 111.862 -178.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.3 t -78.37 -20.14 51.88 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -177.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -83.37 -154.04 16.18 Favored Glycine 0 C--N 1.35 1.356 0 O-C-N 123.164 0.29 . . . . 0.0 113.698 -173.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.422 ' O ' HG13 ' A' ' 60' ' ' ILE . 2.6 t -78.28 123.28 26.78 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 171.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.529 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.8 m-20 -54.31 -26.79 31.43 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.091 0.956 . . . . 0.0 112.911 -175.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -55.76 -56.61 18.47 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.436 0.695 . . . . 0.0 110.83 172.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.1 m -72.24 -29.17 63.67 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.332 -177.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 57' ' ' ASN . 62.7 mt -66.81 -51.11 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 123.141 0.276 . . . . 0.0 110.56 -178.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 12.5 ptt180 -73.39 -25.57 60.62 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 117.786 0.266 . . . . 0.0 111.426 178.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -67.93 -45.57 73.94 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.768 0.427 . . . . 0.0 111.1 174.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.15 -40.43 23.99 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.449 0.699 . . . . 0.0 110.883 -176.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -105.27 116.54 32.12 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.014 -175.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -77.56 -174.16 3.27 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.184 0.593 . . . . 0.0 110.668 177.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.425 ' O ' HG13 ' A' ' 70' ' ' ILE . 22.5 p -49.71 -49.23 48.64 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.168 0.987 . . . . 0.0 111.946 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.1 m -53.72 -41.63 67.21 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.9 1.28 . . . . 0.0 113.114 -172.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -62.01 -46.91 87.12 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 123.66 0.6 . . . . 0.0 110.404 177.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.466 ' HB3' HD12 ' A' ' 35' ' ' LEU . 57.0 mt -76.37 -25.83 55.03 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.524 -173.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 66' ' ' CYS . 73.0 mt -66.76 -52.89 40.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 171.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.62 -29.92 69.54 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.862 0.865 . . . . 0.0 111.962 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.42 -51.12 31.77 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.315 0.646 . . . . 0.0 110.961 177.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -65.44 -37.14 86.0 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.459 0.703 . . . . 0.0 110.369 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.457 ' O ' ' HG2' ' A' ' 78' ' ' GLU . 57.2 mtpt -60.95 -59.73 4.91 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.797 0.839 . . . . 0.0 109.488 176.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -56.28 -33.93 65.98 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 123.955 0.785 . . . . 0.0 111.287 -176.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -64.83 -56.5 13.07 Favored 'General case' 0 C--O 1.252 1.187 0 C-N-CA 123.86 0.864 . . . . 0.0 110.768 177.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 74.4 m -62.67 -34.71 77.67 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.023 -178.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 16.0 mm-40 -81.64 -30.11 32.92 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.713 0.805 . . . . 0.0 110.773 -178.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -71.2 -22.15 62.05 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.018 0.527 . . . . 0.0 110.117 175.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.83 48.35 1.18 Allowed Glycine 0 C--N 1.347 1.189 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.24 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -37.97 123.76 1.11 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.625 1.57 . . . . 0.0 113.459 -174.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -60.35 -66.02 0.59 Allowed 'General case' 0 C--O 1.239 0.549 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.843 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.8 t 53.81 22.69 3.36 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 124.109 0.964 . . . . 0.0 111.112 -167.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.04 -14.74 10.01 Favored Glycine 0 CA--C 1.542 1.727 0 C-N-CA 123.385 0.516 . . . . 0.0 114.127 -173.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.532 HD13 ' HD2' ' A' ' 12' ' ' LYS . 22.7 mt -77.36 -64.14 1.21 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.963 0.905 . . . . 0.0 110.282 -172.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -102.0 162.9 12.56 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.248 1.019 . . . . 0.0 110.019 178.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -148.82 98.06 2.8 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.073 0.949 . . . . 0.0 108.466 172.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.637 0 CA-C-O 118.852 -0.971 . . . . 0.0 112.678 178.237 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -85.72 92.89 8.72 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -65.76 -33.1 75.09 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.968 177.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.5 t -73.28 -1.34 17.54 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 124.759 1.224 . . . . 0.0 112.823 -177.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.43 -20.97 62.04 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.752 0.821 . . . . 0.0 110.882 173.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.474 ' N ' ' HE2' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -80.31 -13.26 59.33 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.919 0.488 . . . . 0.0 110.854 173.805 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -94.4 -40.87 9.7 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.497 0.719 . . . . 0.0 109.406 171.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -95.64 81.05 3.46 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 177.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.484 ' HB2' ' HD2' ' A' ' 12' ' ' LYS . 19.5 mm-40 -62.68 149.55 43.32 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 113.744 -1.571 . . . . 0.0 111.982 177.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -126.81 155.67 42.5 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.291 1.037 . . . . 0.0 109.698 -177.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.09 17.04 68.09 Favored Glycine 0 C--N 1.344 0.983 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.718 -177.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.484 ' HD2' ' HB2' ' A' ' 9' ' ' GLU . 47.7 mtpt -80.48 85.75 5.88 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.86 155.48 16.76 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.513 -178.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.38 46.65 68.67 Favored Glycine 0 CA--C 1.526 0.743 0 O-C-N 123.332 0.395 . . . . 0.0 113.912 175.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.5 p -84.28 88.73 7.25 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 174.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 -90.54 171.73 9.2 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.355 0.662 . . . . 0.0 111.8 -171.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.2 m -78.05 158.47 29.18 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.578 166.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.454 HD13 ' SG ' ' A' ' 77' ' ' CYS . 49.6 mm -60.15 -42.48 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 174.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.605 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 43.8 mt-10 -70.75 -31.61 68.49 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.148 -178.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -63.81 -44.74 92.37 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.3 t -59.75 -62.09 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.539 177.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.605 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.5 pt-20 -59.76 -40.15 87.19 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -171.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -76.34 -45.3 32.76 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.584 -175.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -90.8 -2.05 57.81 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 118.913 -0.565 . . . . 0.0 111.845 -173.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.92 112.85 2.22 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 118.345 0.52 . . . . 0.0 111.064 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.84 -9.56 23.4 Favored Glycine 0 C--N 1.345 1.047 0 CA-C-N 115.744 -0.662 . . . . 0.0 113.543 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.1 p -91.08 -174.64 4.05 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 117.67 0.735 . . . . 0.0 111.268 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -74.57 -25.64 59.42 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.544 0.738 . . . . 0.0 110.938 170.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -77.08 -39.41 49.81 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.727 0.811 . . . . 0.0 111.378 -177.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.443 HD11 HD23 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -141.46 80.2 16.56 Favored Pre-proline 0 CA--C 1.545 0.781 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 177.411 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -59.78 153.61 55.25 Favored 'Trans proline' 0 C--N 1.372 1.801 0 C-N-CA 121.928 1.752 . . . . 0.0 112.091 170.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -59.13 -41.1 87.45 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.961 173.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.481 ' HB2' ' HD2' ' A' ' 61' ' ' ARG . 3.7 t30 -66.06 -41.52 90.66 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 115.08 -0.963 . . . . 0.0 110.413 -176.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.2 -39.12 91.68 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.714 1.206 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.515 HD13 ' HB3' ' A' ' 69' ' ' LEU . 2.7 tm? -64.61 -49.87 69.39 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.8 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.8 mt -58.99 -41.95 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 C-N-CA 124.109 0.964 . . . . 0.0 111.163 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.3 m -59.75 -49.04 79.27 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.729 178.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -54.67 -49.74 69.9 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.863 0.465 . . . . 0.0 110.755 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 83.7 mt -57.73 -42.87 84.74 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.012 -175.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -79.92 -21.92 43.35 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -75.1 -34.26 61.7 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.698 0.399 . . . . 0.0 111.681 176.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -95.69 -33.24 12.39 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.43 155.64 19.57 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -83.6 161.49 21.12 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.012 168.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.73 -32.86 14.55 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.309 1.044 . . . . 0.0 113.785 -168.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.74 -43.25 65.6 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 124.372 1.069 . . . . 0.0 112.184 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -67.31 -40.4 85.99 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.507 -176.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.41 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.3 mm? -75.64 -28.41 58.78 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.689 -178.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -77.54 -19.99 54.89 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.153 0.581 . . . . 0.0 110.511 175.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -75.45 -56.09 5.04 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.878 0.471 . . . . 0.0 110.702 171.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -85.42 4.56 34.94 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -175.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? 67.04 21.42 10.23 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 124.702 1.201 . . . . 0.0 111.152 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.424 ' HA ' HD11 ' A' ' 60' ' ' ILE . 19.9 mt -83.17 1.65 39.5 Favored 'General case' 0 CA--C 1.559 1.315 0 C-N-CA 124.032 0.933 . . . . 0.0 110.652 177.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -71.1 -22.08 62.14 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.182 0.993 . . . . 0.0 112.699 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -77.54 -168.04 30.15 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-O 120.316 -0.158 . . . . 0.0 113.042 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 t -70.9 130.04 40.6 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 117.099 0.449 . . . . 0.0 110.37 174.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.598 ' HA ' HD12 ' A' ' 60' ' ' ILE . 7.3 m-20 -55.38 -25.89 38.08 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 124.323 1.049 . . . . 0.0 113.748 -173.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -63.84 -50.91 67.02 Favored 'General case' 0 C--O 1.254 1.313 0 C-N-CA 123.465 0.706 . . . . 0.0 111.124 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 m -66.75 -34.76 78.56 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.948 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 57' ' ' ASN . 52.1 mt -65.94 -55.16 20.58 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.973 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.817 -178.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.481 ' HD2' ' HB2' ' A' ' 33' ' ' ASN . 2.5 ptm180 -60.92 -30.34 70.14 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 122.755 0.422 . . . . 0.0 111.342 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -70.11 -48.68 56.56 Favored 'General case' 0 CA--C 1.556 1.191 0 O-C-N 123.221 0.325 . . . . 0.0 110.785 178.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.435 HD21 ' N ' ' A' ' 63' ' ' ASN . 0.8 OUTLIER -82.67 -46.65 12.96 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.033 0.533 . . . . 0.0 110.932 -172.555 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.417 ' HD2' ' N ' ' A' ' 64' ' ' ARG . 4.2 mpt_? -79.29 123.81 27.8 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.215 1.006 . . . . 0.0 109.001 177.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -88.49 -176.03 5.17 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.257 178.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.467 ' O ' HG13 ' A' ' 70' ' ' ILE . 24.3 p -54.29 -49.59 69.28 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.6 0.76 . . . . 0.0 111.444 -178.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.9 m -57.62 -39.77 77.65 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.78 0.832 . . . . 0.0 113.224 -172.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -41.24 97.82 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.122 0.487 . . . . 0.0 111.599 176.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.515 ' HB3' HD13 ' A' ' 35' ' ' LEU . 65.2 mt -77.12 -31.35 55.69 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.785 -175.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.494 HG21 ' HE2' ' A' ' 74' ' ' LYS . 25.3 mt -68.44 -44.25 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 173.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.32 -38.37 86.61 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.89 178.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.31 -43.26 70.7 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.604 0.762 . . . . 0.0 111.889 178.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -67.0 -42.33 85.17 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 120.929 0.395 . . . . 0.0 110.309 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.494 ' HE2' HG21 ' A' ' 70' ' ' ILE . 57.7 mtmt -60.8 -52.03 66.79 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.634 173.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -56.17 -31.79 63.73 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.6 0.76 . . . . 0.0 111.166 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -75.44 -48.57 22.16 Favored 'General case' 0 C--O 1.254 1.293 0 C-N-CA 123.906 0.883 . . . . 0.0 112.316 -177.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.5 ' HB2' ' HB3' ' A' ' 87' ' ' GLN . 30.8 p -68.68 -37.43 79.58 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 121.118 0.485 . . . . 0.0 110.528 178.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -72.46 -25.02 61.29 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.541 1.137 . . . . 0.0 110.925 175.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -65.52 -39.02 91.33 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.19 0.596 . . . . 0.0 109.542 172.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 86' ' ' ASN . . . 81.51 42.86 8.86 Favored Glycine 0 C--N 1.344 0.999 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.506 177.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.5 t -44.67 153.15 0.18 Allowed 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 125.971 1.709 . . . . 0.0 115.375 -170.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.64 -17.22 7.99 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 113.718 -1.583 . . . . 0.0 113.226 172.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.5 m -64.77 -39.21 93.24 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.013 0.525 . . . . 0.0 110.331 175.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.68 4.42 6.8 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.904 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.2 mt -89.64 76.71 7.27 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -176.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.452 ' HA ' ' HA2' ' A' ' 80' ' ' GLY . 11.3 m120 -102.82 117.34 34.42 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.51 1.124 . . . . 0.0 109.292 -179.073 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.5 ' HB3' ' HB2' ' A' ' 77' ' ' CYS . 6.1 tp-100 -148.03 134.18 19.36 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.314 1.045 . . . . 0.0 109.371 -174.147 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 1.243 0 CA-C-O 119.018 -0.879 . . . . 0.0 112.121 178.766 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 ttp . . . . . 0 N--CA 1.484 1.239 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -94.79 60.57 2.5 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.754 0.821 . . . . 0.0 109.867 -177.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -93.33 -26.98 17.05 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.119 -169.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.3 p -74.47 -28.99 61.27 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 121.058 0.456 . . . . 0.0 110.283 175.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -64.52 -29.56 70.59 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.415 1.086 . . . . 0.0 111.46 174.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -61.7 -9.18 5.72 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 123.997 0.919 . . . . 0.0 113.395 -177.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -117.0 -8.4 11.25 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.411 0.684 . . . . 0.0 111.84 -174.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 82' ' ' LYS . 34.5 mtmm -150.22 9.68 0.66 Allowed 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -170.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.92 148.26 52.07 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 118.604 0.638 . . . . 0.0 111.83 -174.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -81.32 154.49 26.49 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.734 0.413 . . . . 0.0 109.933 175.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 114.28 24.34 4.5 Favored Glycine 0 N--CA 1.469 0.873 0 CA-C-N 116.131 -0.486 . . . . 0.0 113.261 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -67.47 110.36 3.59 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.61 0.364 . . . . 0.0 110.142 172.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.2 150.36 42.15 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 176.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.15 45.94 37.75 Favored Glycine 0 C--N 1.335 0.496 0 CA-C-N 116.094 -0.503 . . . . 0.0 113.961 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 80.1 m -87.83 97.98 11.22 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 168.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 -102.21 172.81 6.68 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.626 0.77 . . . . 0.0 110.82 -173.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.4 m -84.74 160.84 20.2 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.1 0.56 . . . . 0.0 109.718 167.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.488 HD12 ' HG2' ' A' ' 74' ' ' LYS . 47.9 mm -60.77 -48.36 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 123.505 0.722 . . . . 0.0 110.398 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.555 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 49.0 mt-10 -70.9 -23.73 62.34 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.831 -178.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -67.67 -46.88 71.07 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 172.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.9 t -54.8 -63.04 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 123.449 0.7 . . . . 0.0 110.377 177.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.555 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 11.9 pt-20 -64.04 -44.24 93.13 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -171.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -79.8 -24.05 41.69 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -172.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -104.09 -3.33 24.65 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-O 118.726 -0.654 . . . . 0.0 111.768 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.441 HD23 ' HG2' ' A' ' 32' ' ' LYS . 6.8 mt -58.95 118.12 5.43 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 119.061 0.846 . . . . 0.0 111.533 178.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.57 -14.85 20.08 Favored Glycine 0 C--N 1.344 1.004 0 O-C-N 123.759 0.662 . . . . 0.0 112.823 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.8 p -91.13 -175.07 4.18 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.862 0.465 . . . . 0.0 111.053 -176.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -84.19 -21.85 31.14 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.796 0.438 . . . . 0.0 110.082 171.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -70.46 -37.58 74.33 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.861 0.865 . . . . 0.0 110.513 176.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.5 83.51 10.72 Favored Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 175.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -69.01 139.09 41.88 Favored 'Trans proline' 0 C--N 1.369 1.632 0 C-N-CA 122.233 1.956 . . . . 0.0 110.772 173.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.441 ' HG2' HD23 ' A' ' 25' ' ' LEU . 56.0 mtmt -56.28 -42.65 77.83 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.048 0.939 . . . . 0.0 111.596 -177.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -51.66 -46.8 63.89 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.799 0.84 . . . . 0.0 110.992 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -72.18 -30.94 65.46 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.75 0.82 . . . . 0.0 111.588 -171.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.6 -51.53 66.94 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 173.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.5 mt -59.73 -37.71 72.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.583 178.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 89.4 m -60.86 -53.56 55.8 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.199 1.0 . . . . 0.0 110.545 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -54.66 -46.67 74.06 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.57 0.748 . . . . 0.0 110.137 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.5 mp -58.84 -46.32 87.98 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.64 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.455 ' HA ' HD22 ' A' ' 48' ' ' LEU . 1.6 pt20 -78.43 -20.26 51.46 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 118.162 0.437 . . . . 0.0 112.161 -177.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -74.62 -40.35 61.59 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-O 120.733 0.302 . . . . 0.0 111.042 175.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -92.37 -32.87 14.8 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -175.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.93 162.69 14.65 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -176.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.35 157.86 28.98 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 114.141 -1.39 . . . . 0.0 109.725 176.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.13 -34.05 59.35 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.496 0.718 . . . . 0.0 111.595 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.4 -40.73 78.88 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.217 1.007 . . . . 0.0 112.206 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -68.19 -41.41 81.45 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.684 0.794 . . . . 0.0 110.72 -176.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.483 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.7 mm? -72.91 -29.34 63.06 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.597 178.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -78.92 -17.88 54.76 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 122.221 -0.299 . . . . 0.0 111.204 174.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -77.79 -48.42 16.6 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.379 0.671 . . . . 0.0 110.661 173.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 92.8 m95 -95.35 4.99 52.84 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.473 0.709 . . . . 0.0 111.946 -177.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm 68.28 24.1 7.54 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 125.263 1.425 . . . . 0.0 112.191 172.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.483 ' HB2' HD12 ' A' ' 48' ' ' LEU . 19.6 mt -88.31 17.7 5.01 Favored 'General case' 0 CA--C 1.561 1.404 0 C-N-CA 124.783 1.233 . . . . 0.0 110.948 176.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -81.88 -7.81 59.63 Favored 'General case' 0 CA--C 1.561 1.372 0 C-N-CA 124.091 0.956 . . . . 0.0 112.8 -175.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -87.41 -160.56 35.51 Favored Glycine 0 N--CA 1.482 1.723 0 CA-C-O 120.059 -0.3 . . . . 0.0 112.567 177.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.8 t -82.42 135.76 35.08 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 172.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -58.91 -25.26 63.25 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.216 1.006 . . . . 0.0 113.074 -173.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -58.4 -54.33 48.23 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 123.569 0.543 . . . . 0.0 109.874 172.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.0 m -68.2 -29.63 68.52 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.543 178.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' A' ' 64' ' ' ARG . 60.8 mt -74.25 -44.41 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 117.878 0.308 . . . . 0.0 110.934 -176.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -69.32 -24.91 63.99 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.067 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -76.94 -47.49 20.82 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.98 0.912 . . . . 0.0 111.92 177.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -92.86 -40.62 10.52 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.47 0.708 . . . . 0.0 111.483 -169.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.406 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 4.4 mpt_? -85.38 156.07 21.03 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -96.84 169.81 9.6 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 123.64 0.776 . . . . 0.0 109.817 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.477 ' O ' HG13 ' A' ' 70' ' ' ILE . 27.8 p -58.85 -36.42 74.55 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 123.67 0.606 . . . . 0.0 110.863 177.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.5 m -51.72 -42.7 62.46 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 124.359 1.064 . . . . 0.0 112.969 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -60.9 -43.43 98.54 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.041 0.536 . . . . 0.0 110.875 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.5 mp -69.98 -42.01 73.67 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.504 -176.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.489 HG22 ' HE2' ' A' ' 74' ' ' LYS . 20.6 mt -64.7 -50.23 76.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.53 -40.38 91.29 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.512 1.125 . . . . 0.0 111.715 -177.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.25 -44.38 75.75 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.399 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -63.16 -43.21 98.93 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 122.997 0.519 . . . . 0.0 110.572 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.489 ' HE2' HG22 ' A' ' 70' ' ' ILE . 57.3 mtmt -60.92 -57.9 10.69 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.922 177.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.441 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 26.3 t70 -54.67 -35.23 63.32 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 124.278 0.986 . . . . 0.0 111.176 -177.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -69.93 -48.98 56.35 Favored 'General case' 0 C--O 1.254 1.299 0 C-N-CA 124.018 0.927 . . . . 0.0 111.94 -177.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 42.3 t -65.81 -33.66 76.36 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.835 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -81.28 -21.49 39.31 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.001 177.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.441 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 0.1 OUTLIER -69.89 -34.91 74.15 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.482 0.713 . . . . 0.0 109.479 176.076 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.85 43.88 4.04 Favored Glycine 0 C--N 1.351 1.387 0 C-N-CA 120.755 -0.735 . . . . 0.0 111.484 176.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.481 HG22 ' HB2' ' A' ' 85' ' ' LEU . 4.8 t -42.97 138.51 2.02 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.245 1.418 . . . . 0.0 114.293 -171.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -87.03 9.61 19.09 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.458 -171.48 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.4 p -83.24 30.96 0.45 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.447 0.699 . . . . 0.0 111.997 -177.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.28 17.77 79.74 Favored Glycine 0 C--N 1.351 1.374 0 CA-C-N 116.527 -0.306 . . . . 0.0 113.723 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.481 ' HB2' HG22 ' A' ' 81' ' ' THR . 85.3 mt -110.03 38.21 2.47 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.648 0.779 . . . . 0.0 110.531 -174.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -95.05 67.69 3.09 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 121.598 0.713 . . . . 0.0 109.868 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -76.13 103.35 6.13 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.214 178.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 119.049 -0.862 . . . . 0.0 111.514 -178.076 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.237 0.403 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.433 ' HA2' ' CE2' ' A' ' 16' ' ' TRP . . . 81.73 10.86 83.68 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 115.189 0.836 . . . . 0.0 115.189 170.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -85.1 73.5 10.64 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 175.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.433 ' CE2' ' HA2' ' A' ' 14' ' ' GLY . 4.3 m-90 -84.57 168.04 15.74 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 124.256 1.023 . . . . 0.0 110.79 -176.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.5 m -72.98 154.95 40.31 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.621 168.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.56 HD12 ' HG2' ' A' ' 74' ' ' LYS . 51.3 mm -62.1 -46.17 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 122.618 0.367 . . . . 0.0 110.411 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.561 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 48.5 mt-10 -69.49 -28.58 66.19 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.811 -179.136 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -62.92 -47.0 85.14 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 172.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.406 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 41.8 t -57.28 -64.53 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.256 177.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.561 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 11.1 pt-20 -64.23 -41.86 96.82 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -168.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -77.68 -37.14 50.33 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.383 0.427 . . . . 0.0 110.715 -174.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -96.13 -1.87 47.63 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 118.399 -0.81 . . . . 0.0 111.921 -176.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 21' ' ' VAL . 8.0 mt -58.12 111.79 1.31 Allowed 'General case' 0 N--CA 1.486 1.339 0 CA-C-N 118.828 0.74 . . . . 0.0 110.552 176.502 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.78 2.78 39.96 Favored Glycine 0 CA--C 1.533 1.185 0 CA-C-N 115.077 -0.965 . . . . 0.0 114.238 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.3 p -93.49 -178.28 4.67 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 117.95 0.875 . . . . 0.0 110.535 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -77.31 -20.71 54.56 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.933 0.493 . . . . 0.0 110.608 171.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -79.47 -46.0 18.3 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.065 0.946 . . . . 0.0 110.697 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -135.13 81.19 45.39 Favored Pre-proline 0 CA--C 1.546 0.82 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 175.822 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.29 146.9 87.18 Favored 'Trans proline' 0 C--N 1.364 1.343 0 C-N-CA 121.971 1.781 . . . . 0.0 111.319 172.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -56.65 -38.52 72.29 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.212 1.005 . . . . 0.0 111.571 -177.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -58.12 -41.42 83.57 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 123.887 0.742 . . . . 0.0 111.618 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.95 -29.76 65.86 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.572 0.749 . . . . 0.0 112.308 -176.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -66.49 -49.93 64.96 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 173.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.0 mt -57.24 -39.78 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.691 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.9 m -64.84 -50.94 64.67 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 123.973 0.909 . . . . 0.0 110.595 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -54.56 -46.72 73.74 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.326 0.65 . . . . 0.0 110.243 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mp -61.64 -46.2 90.79 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.558 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.426 ' HA ' HD21 ' A' ' 48' ' ' LEU . 10.4 pt20 -77.21 -17.71 58.29 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.791 -0.568 . . . . 0.0 112.394 -178.189 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -77.31 -55.25 5.56 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.711 0.291 . . . . 0.0 110.319 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -80.53 -46.45 15.78 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.245 0.618 . . . . 0.0 112.234 -170.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.35 162.46 27.86 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -173.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.43 158.07 35.68 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 114.7 -1.136 . . . . 0.0 109.841 173.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.36 -31.13 67.33 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.417 0.687 . . . . 0.0 112.008 -176.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.56 -41.55 81.26 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.126 0.97 . . . . 0.0 112.087 177.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -64.39 -45.44 87.65 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.785 0.834 . . . . 0.0 110.487 -175.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.525 HD12 ' HB2' ' A' ' 53' ' ' LEU . 2.2 mm? -71.23 -33.16 69.62 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.833 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -68.75 -26.31 65.17 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 122.429 -0.169 . . . . 0.0 111.002 173.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -75.87 -38.17 58.18 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.098 0.559 . . . . 0.0 111.162 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -100.1 6.41 44.93 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.747 ' HB2' ' HD2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER 63.9 24.44 13.69 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 124.668 1.187 . . . . 0.0 111.508 178.263 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.525 ' HB2' HD12 ' A' ' 48' ' ' LEU . 13.8 mt -92.44 11.53 25.87 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 123.89 0.876 . . . . 0.0 110.496 176.064 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.3 t -80.03 -8.99 59.66 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 124.215 1.006 . . . . 0.0 113.176 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -89.97 -143.06 9.99 Favored Glycine 0 N--CA 1.479 1.516 0 CA-C-N 117.757 0.253 . . . . 0.0 113.716 -176.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.1 t -93.87 130.75 39.8 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.7 0.8 . . . . 0.0 109.338 174.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.448 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.5 m-20 -53.55 -25.07 15.47 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 124.124 0.969 . . . . 0.0 113.504 -172.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -63.89 -57.36 10.04 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 123.388 0.43 . . . . 0.0 109.958 175.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.1 t -67.89 -26.65 66.11 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.549 0.34 . . . . 0.0 110.726 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 57' ' ' ASN . 87.0 mt -68.21 -48.47 73.54 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 C-N-CA 122.627 0.371 . . . . 0.0 110.462 178.138 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 16.2 ptm180 -73.1 -19.19 61.2 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 118.835 0.743 . . . . 0.0 111.569 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -82.4 -37.75 25.08 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.126 0.57 . . . . 0.0 112.35 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -101.6 -29.87 11.7 Favored 'General case' 0 N--CA 1.498 1.938 0 C-N-CA 123.034 0.534 . . . . 0.0 112.164 -173.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.747 ' HD2' ' HB2' ' A' ' 52' ' ' LYS . 3.9 mmp_? -100.42 109.9 22.07 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.736 0.815 . . . . 0.0 108.93 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -78.29 179.93 6.64 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.179 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.467 ' O ' HG13 ' A' ' 70' ' ' ILE . 17.0 p -54.8 -41.9 71.16 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.218 -177.545 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.3 m -47.59 -44.7 26.67 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.724 1.21 . . . . 0.0 112.672 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -64.28 -45.47 87.89 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.952 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.0 mp -71.02 -36.13 72.28 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 114.803 -1.09 . . . . 0.0 112.003 -176.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.58 HG22 ' HE2' ' A' ' 74' ' ' LYS . 41.9 mt -70.57 -53.28 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 -178.364 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.24 -41.29 92.86 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.865 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.13 -54.77 42.95 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.14 0.576 . . . . 0.0 112.201 173.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -62.52 -41.0 98.56 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.966 0.507 . . . . 0.0 110.964 -175.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.58 ' HE2' HG22 ' A' ' 70' ' ' ILE . 55.1 mtmt -61.75 -58.01 9.68 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.806 178.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -60.3 -25.07 65.46 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.509 0.723 . . . . 0.0 112.268 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -69.0 -55.42 10.91 Favored 'General case' 0 C--O 1.26 1.646 0 C-N-CA 123.643 0.777 . . . . 0.0 110.683 176.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 64.3 m -64.53 -38.0 89.51 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.933 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -73.75 -26.36 60.63 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.577 1.151 . . . . 0.0 111.41 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -65.35 -35.17 80.16 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 122.978 0.511 . . . . 0.0 109.96 172.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.114 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 178.069 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.1 ptm . . . . . 0 N--CA 1.468 0.448 0 CA-C-O 120.215 0.055 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.62 28.49 63.19 Favored Glycine 0 C--N 1.341 0.848 0 O-C-N 123.716 0.635 . . . . 0.0 114.518 172.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.4 p -83.72 91.4 7.49 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 171.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 -93.41 171.33 8.98 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.536 0.734 . . . . 0.0 109.965 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 m -84.61 159.15 20.68 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 165.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 74' ' ' LYS . 49.9 mm -58.75 -43.22 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 123.154 0.582 . . . . 0.0 110.947 -176.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.597 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 40.8 mt-10 -72.52 -30.84 64.83 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.459 -177.132 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -62.39 -45.26 93.93 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 172.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.45 -58.87 4.32 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.528 178.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.597 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.8 pt-20 -65.67 -41.42 92.5 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -171.367 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -73.94 -33.08 63.79 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.842 0.457 . . . . 0.0 111.349 -175.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -99.54 -6.91 26.65 Favored 'General case' 0 CA--C 1.553 1.083 0 CA-C-O 119.019 -0.515 . . . . 0.0 112.033 -176.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.408 HD22 ' HG2' ' A' ' 32' ' ' LYS . 4.2 mt -58.88 119.17 6.71 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 118.59 0.632 . . . . 0.0 112.233 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.01 8.34 54.1 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-N 115.51 -0.768 . . . . 0.0 113.436 176.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.3 p -104.84 -178.25 3.6 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.834 0.454 . . . . 0.0 110.005 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -85.76 -0.15 54.47 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 122.837 0.455 . . . . 0.0 111.115 174.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -85.65 -56.63 3.41 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 170.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -127.28 89.85 50.48 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -70.38 148.78 61.79 Favored 'Trans proline' 0 C--N 1.37 1.671 0 C-N-CA 121.707 1.605 . . . . 0.0 110.724 172.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.521 ' HD3' ' SG ' ' A' ' 66' ' ' CYS . 38.2 mtmm -54.63 -37.74 66.0 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.963 0.905 . . . . 0.0 111.045 176.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -56.78 -45.01 82.41 Favored 'General case' 0 CA--C 1.549 0.917 0 O-C-N 124.116 0.885 . . . . 0.0 111.059 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.92 -34.18 74.95 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.417 1.087 . . . . 0.0 111.819 -175.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.473 HD13 HD13 ' A' ' 39' ' ' LEU . 2.9 tm? -62.66 -54.6 37.02 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 175.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.484 HG23 ' HB3' ' A' ' 53' ' ' LEU . 56.9 mt -55.78 -41.4 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.893 178.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.7 m -57.76 -49.67 75.79 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.511 1.124 . . . . 0.0 110.914 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.481 ' HD2' HD12 ' A' ' 39' ' ' LEU . 76.2 t80 -58.33 -48.53 80.24 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 123.59 0.556 . . . . 0.0 110.394 -177.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.481 HD12 ' HD2' ' A' ' 38' ' ' TYR . 10.8 mp -65.86 -38.67 89.44 Favored 'General case' 0 C--O 1.212 -0.903 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.176 -176.1 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.422 ' HA ' HD21 ' A' ' 48' ' ' LEU . 10.4 pt20 -76.99 -19.56 57.15 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 118.691 0.678 . . . . 0.0 111.652 179.094 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -78.77 -43.32 25.8 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.826 0.45 . . . . 0.0 111.452 172.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -89.58 -42.95 11.11 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -172.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.426 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . . . -84.03 169.89 14.48 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.202 0.601 . . . . 0.0 111.974 -179.31 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -90.87 159.15 16.39 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.138 0.975 . . . . 0.0 110.185 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.89 -35.14 57.54 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.248 1.019 . . . . 0.0 112.953 -169.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.93 -40.16 79.77 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.02 0.928 . . . . 0.0 112.458 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -65.61 -40.44 92.63 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.729 0.812 . . . . 0.0 110.241 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.469 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.4 mm? -74.63 -28.85 61.05 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.673 178.234 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -75.02 -18.73 60.3 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.884 0.474 . . . . 0.0 110.703 173.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -80.61 -43.29 20.78 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.227 0.611 . . . . 0.0 111.153 173.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -100.27 6.53 44.67 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -176.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.544 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 10.5 mmpt? 67.53 24.54 8.64 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 124.464 1.106 . . . . 0.0 112.421 176.074 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.609 ' HA ' HD13 ' A' ' 60' ' ' ILE . 31.1 mt -90.74 7.85 37.55 Favored 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 123.895 0.878 . . . . 0.0 111.172 177.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.5 t -85.2 -5.67 59.32 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.492 0.717 . . . . 0.0 112.467 -174.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -91.75 -158.05 34.21 Favored Glycine 0 N--CA 1.474 1.176 0 N-CA-C 112.588 -0.205 . . . . 0.0 112.588 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.2 t -76.78 127.81 33.44 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 170.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.598 ' HA ' HD12 ' A' ' 60' ' ' ILE . 2.6 m-20 -56.64 -27.1 57.79 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.177 0.991 . . . . 0.0 112.36 -171.476 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.563 ' HA ' ' HE ' ' A' ' 61' ' ' ARG . 31.4 ttpt -58.04 -56.15 25.68 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.028 0.931 . . . . 0.0 111.011 174.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.7 m -72.76 -27.5 62.05 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.972 -174.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.609 HD13 ' HA ' ' A' ' 53' ' ' LEU . 51.7 mt -68.11 -48.37 74.49 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.993 0 C-N-CA 122.862 0.465 . . . . 0.0 110.008 176.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.563 ' HE ' ' HA ' ' A' ' 58' ' ' LYS . 12.7 ptt180 -76.12 -16.6 59.86 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 111.782 0.289 . . . . 0.0 111.782 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -86.99 -37.02 17.91 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 122.747 0.419 . . . . 0.0 111.583 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -93.7 -45.29 7.76 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.013 0.525 . . . . 0.0 111.281 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.8 mmp_? -87.47 147.78 25.24 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -89.37 171.36 9.8 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.276 0.63 . . . . 0.0 111.191 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.521 ' SG ' ' HD3' ' A' ' 32' ' ' LYS . 76.0 m -57.23 -33.46 67.57 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.688 173.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.2 m -51.96 -45.25 64.32 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.701 1.2 . . . . 0.0 112.482 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -62.24 -42.31 99.2 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 123.562 0.539 . . . . 0.0 110.843 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.5 mp -70.26 -34.42 72.8 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 124.579 1.174 . . . . 0.0 111.988 -176.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.466 ' O ' ' HB2' ' A' ' 74' ' ' LYS . 38.0 mt -67.33 -51.89 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 176.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.68 -33.34 74.88 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 124.382 1.051 . . . . 0.0 111.814 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.3 -54.7 21.65 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.476 0.711 . . . . 0.0 111.193 177.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -63.25 -34.92 78.71 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.147 0.579 . . . . 0.0 110.235 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 22.7 ttmt -65.08 -58.58 5.68 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.02 -0.991 . . . . 0.0 108.885 -176.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 17.8 t70 -57.88 -31.65 66.92 Favored 'General case' 0 C--O 1.209 -1.076 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.924 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 19.5 t80 -63.65 -52.29 61.4 Favored 'General case' 0 C--O 1.259 1.598 0 C-N-CA 124.2 1.0 . . . . 0.0 111.426 179.132 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 42.4 t -66.73 -37.08 83.95 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.843 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 30.5 mm-40 -75.23 -23.77 57.61 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.672 0.789 . . . . 0.0 110.944 177.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 0.5 OUTLIER -66.78 -38.36 86.41 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.923 0.889 . . . . 0.0 109.088 175.743 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.147 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.273 176.89 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.799 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.45 47.41 70.27 Favored Glycine 0 C--N 1.339 0.698 0 O-C-N 123.675 0.61 . . . . 0.0 113.809 170.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.1 m -86.85 83.25 7.58 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 170.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -83.65 170.22 14.51 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.604 0.762 . . . . 0.0 110.569 -173.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.9 m -85.71 159.76 19.71 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 170.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.534 HD12 ' HG2' ' A' ' 74' ' ' LYS . 37.6 mm -56.21 -42.64 73.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.5 0.72 . . . . 0.0 111.223 -177.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.554 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 35.8 mt-10 -71.41 -34.25 70.18 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.721 0.808 . . . . 0.0 112.034 -177.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -66.27 -42.42 88.49 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 175.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.3 t -57.18 -62.96 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.114 175.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.554 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 13.8 pt-20 -63.33 -41.94 98.94 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -170.183 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -78.74 -33.58 46.52 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 122.623 0.369 . . . . 0.0 111.597 -174.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -95.37 -7.28 38.98 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 118.846 -0.597 . . . . 0.0 112.206 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 mt -58.53 120.09 8.21 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 118.643 0.656 . . . . 0.0 110.965 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.02 -4.48 41.64 Favored Glycine 0 C--N 1.343 0.918 0 CA-C-N 115.629 -0.714 . . . . 0.0 113.46 177.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.6 p -91.44 -178.62 5.16 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 117.125 0.463 . . . . 0.0 110.461 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -76.44 -25.12 54.06 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.97 0.508 . . . . 0.0 110.739 171.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -75.55 -40.9 56.17 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.608 0.763 . . . . 0.0 110.918 -177.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -137.94 86.42 18.01 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 176.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.47 153.9 71.84 Favored 'Trans proline' 0 C--N 1.367 1.515 0 C-N-CA 122.347 2.032 . . . . 0.0 112.125 172.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.421 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 14.5 mttm -58.69 -38.67 78.76 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.719 172.183 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -54.06 -52.56 60.49 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.983 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.99 -30.3 71.49 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.256 1.022 . . . . 0.0 112.639 -174.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' ' 73' ' ' TYR . 2.0 tm? -66.47 -54.78 20.21 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 173.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.431 HG22 ' NE2' ' A' ' 40' ' ' GLN . 60.9 mt -55.69 -34.38 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.834 176.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.425 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 91.8 m -67.5 -51.5 50.38 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 124.347 1.059 . . . . 0.0 110.576 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.437 ' HD2' HD12 ' A' ' 39' ' ' LEU . 69.6 t80 -54.22 -44.56 71.79 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.15 0.58 . . . . 0.0 110.123 178.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.437 HD12 ' HD2' ' A' ' 38' ' ' TYR . 10.7 mp -64.33 -46.43 83.51 Favored 'General case' 0 C--O 1.202 -1.445 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.574 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.447 ' HA ' HD21 ' A' ' 48' ' ' LEU . 1.2 pt20 -73.57 -18.91 61.01 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 119.289 0.95 . . . . 0.0 112.213 -178.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 37' ' ' THR . 29.8 mtpp -76.54 -55.85 5.15 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.543 0.337 . . . . 0.0 110.138 174.094 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -82.8 -39.11 22.2 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.105 0.562 . . . . 0.0 112.427 -172.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 39' ' ' LEU . . . -81.18 152.15 27.87 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 121.13 0.49 . . . . 0.0 111.65 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -75.35 157.39 34.32 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.363 174.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.48 -32.3 49.58 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.78 0.832 . . . . 0.0 113.042 -171.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.37 -40.0 73.83 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.406 1.083 . . . . 0.0 112.566 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -68.24 -37.46 80.83 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.801 0.84 . . . . 0.0 110.698 -175.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.447 HD21 ' HA ' ' A' ' 40' ' ' GLN . 2.0 mm? -74.87 -35.52 62.33 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.988 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -67.36 -26.02 66.27 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.712 173.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -70.39 -60.85 2.03 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.042 0.537 . . . . 0.0 110.039 175.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -84.42 9.93 12.05 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -174.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.37 22.13 8.06 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 124.652 1.181 . . . . 0.0 111.081 175.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.546 ' HA ' HD13 ' A' ' 60' ' ' ILE . 21.5 mt -88.22 5.2 42.74 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 124.226 1.011 . . . . 0.0 111.03 176.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.1 t -75.64 -11.33 59.99 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.825 0.85 . . . . 0.0 112.631 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.74 -161.62 30.48 Favored Glycine 0 C--N 1.354 1.542 0 N-CA-C 112.666 -0.174 . . . . 0.0 112.666 177.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.3 t -81.58 128.87 34.38 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 172.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.581 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.6 m-20 -49.84 -28.56 6.63 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 125.193 1.397 . . . . 0.0 113.656 -173.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -68.2 -52.1 38.17 Favored 'General case' 0 C--O 1.247 0.946 0 C-N-CA 123.313 0.645 . . . . 0.0 110.831 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.8 t -61.29 -42.53 98.8 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.411 176.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 57' ' ' ASN . 56.3 mt -60.55 -49.91 82.51 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.891 0 C-N-CA 123.296 0.638 . . . . 0.0 110.971 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.421 ' HB2' ' HB2' ' A' ' 32' ' ' LYS . 24.5 ptt180 -69.54 -23.75 63.62 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.717 0.407 . . . . 0.0 111.403 -176.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.555 ' HA ' ' HE2' ' A' ' 62' ' ' LYS . 10.2 mmpt? -79.02 -32.18 44.95 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 172.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -92.69 -21.64 19.88 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.481 0.712 . . . . 0.0 111.868 -175.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 78.1 mmt-85 -125.71 113.17 16.97 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 124.589 1.156 . . . . 0.0 108.447 -175.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -78.45 -175.53 4.32 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.295 0.638 . . . . 0.0 110.798 176.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.426 ' O ' HG13 ' A' ' 70' ' ' ILE . 12.6 p -48.66 -47.86 40.25 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.027 0.931 . . . . 0.0 112.682 -177.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.4 m -48.12 -44.72 32.19 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.496 1.118 . . . . 0.0 113.463 -174.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -68.76 -38.42 80.07 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.815 0.446 . . . . 0.0 111.584 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.5 mp -76.52 -30.44 57.18 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.816 0.847 . . . . 0.0 111.797 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.518 HG22 ' HE2' ' A' ' 74' ' ' LYS . 58.1 mt -68.48 -48.45 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 175.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.58 -46.49 86.82 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 114.575 -1.193 . . . . 0.0 110.974 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.32 -46.17 87.89 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.71 0.804 . . . . 0.0 112.48 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.431 ' HB2' HD11 ' A' ' 35' ' ' LEU . 64.4 t80 -68.17 -43.62 77.77 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.729 0.412 . . . . 0.0 110.75 -177.615 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.534 ' HG2' HD12 ' A' ' 18' ' ' ILE . 55.1 mtmt -57.01 -56.69 18.48 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 123.726 0.641 . . . . 0.0 109.619 174.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -54.23 -35.71 62.75 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 124.527 1.142 . . . . 0.0 111.498 -176.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -69.73 -51.69 32.0 Favored 'General case' 0 C--O 1.255 1.379 0 C-N-CA 123.848 0.859 . . . . 0.0 111.764 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.37 -28.32 67.02 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.288 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -82.82 -28.74 29.99 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.162 0.985 . . . . 0.0 110.184 177.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -64.56 -33.58 76.24 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.163 0.585 . . . . 0.0 109.496 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.156 0 C-N-CA 121.073 -0.584 . . . . 0.0 111.937 172.441 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.1 ptm . . . . . 0 N--CA 1.466 0.352 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 68.65 26.42 74.46 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 115.702 1.041 . . . . 0.0 115.702 168.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -85.01 76.13 10.3 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 174.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.5 m-90 -90.44 164.49 14.27 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.763 -175.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.0 m -79.45 157.36 27.53 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.462 165.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.517 HD12 ' HG2' ' A' ' 74' ' ' LYS . 51.2 mm -60.17 -42.49 90.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 122.76 0.424 . . . . 0.0 111.045 -178.515 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.57 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 49.3 mt-10 -67.47 -32.83 73.95 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.668 179.025 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -64.09 -44.59 91.87 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 176.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.7 t -57.75 -63.02 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.265 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.57 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.8 pt-20 -62.58 -41.83 99.19 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.323 0.649 . . . . 0.0 112.629 -170.26 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -78.48 -38.3 41.32 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 122.656 0.382 . . . . 0.0 111.32 -173.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -90.3 -8.36 51.07 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 118.886 -0.578 . . . . 0.0 111.381 -177.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 66' ' ' CYS . 5.9 mt -60.65 116.85 4.68 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 118.801 0.728 . . . . 0.0 111.408 178.113 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.31 -15.44 30.2 Favored Glycine 0 C--N 1.348 1.215 0 CA-C-N 115.364 -0.835 . . . . 0.0 112.663 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.0 p -88.91 176.7 6.92 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.843 0.457 . . . . 0.0 110.886 -177.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.72 -36.01 81.48 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.083 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -67.5 -43.82 79.97 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.39 0.676 . . . . 0.0 111.23 -177.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -133.18 87.13 39.88 Favored Pre-proline 0 N--CA 1.478 0.948 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.182 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -70.51 157.46 58.86 Favored 'Trans proline' 0 C--N 1.367 1.546 0 C-N-CA 121.674 1.582 . . . . 0.0 110.708 172.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -52.51 -47.36 66.69 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.132 0.573 . . . . 0.0 110.429 177.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -55.49 -38.37 69.05 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.586 -174.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -66.17 -39.72 89.95 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.866 0.866 . . . . 0.0 111.452 -178.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.41 -51.77 64.4 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.473 HG22 ' NE2' ' A' ' 40' ' ' GLN . 62.6 mt -55.99 -38.19 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-N 114.408 -1.269 . . . . 0.0 110.288 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 52.6 m -63.5 -52.88 59.37 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 124.482 1.113 . . . . 0.0 110.617 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.428 ' HD1' HD12 ' A' ' 39' ' ' LEU . 62.5 t80 -54.45 -46.28 73.26 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.746 0.418 . . . . 0.0 110.385 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.428 HD12 ' HD1' ' A' ' 38' ' ' TYR . 8.4 mp -64.13 -44.03 93.43 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.921 -177.148 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.473 ' NE2' HG22 ' A' ' 36' ' ' ILE . 1.9 pt20 -77.41 -17.81 57.82 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.44 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -81.45 -48.39 11.95 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.45 0.3 . . . . 0.0 110.945 174.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -93.78 -23.59 18.12 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -168.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.403 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . . . -95.03 161.87 13.96 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 120.955 0.407 . . . . 0.0 110.943 175.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -75.91 158.01 32.55 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.616 170.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.17 -31.72 65.69 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.604 0.762 . . . . 0.0 112.204 -171.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.49 -38.66 72.06 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.373 1.069 . . . . 0.0 112.689 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -64.79 -41.71 95.61 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.173 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.494 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.8 mm? -73.69 -29.18 62.13 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.461 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -72.55 -22.73 60.96 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.203 0.601 . . . . 0.0 110.734 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -78.95 -51.3 9.82 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.171 0.588 . . . . 0.0 110.762 174.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -89.13 5.77 43.06 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.11 0.564 . . . . 0.0 112.309 -176.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.455 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 9.9 mmpt? 67.78 22.46 8.85 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.749 1.219 . . . . 0.0 112.057 173.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.494 ' HB2' HD12 ' A' ' 48' ' ' LEU . 18.6 mt -89.5 4.61 48.63 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 124.023 0.929 . . . . 0.0 110.48 176.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.6 t -73.17 -21.23 60.73 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.235 1.014 . . . . 0.0 112.7 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -74.11 -165.43 12.07 Favored Glycine 0 C--N 1.352 1.436 0 O-C-N 123.622 0.576 . . . . 0.0 113.195 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.8 t -77.18 130.2 36.97 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 175.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.533 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.2 m-20 -55.01 -25.76 32.38 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.045 0.938 . . . . 0.0 113.322 -173.329 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -58.72 -52.81 64.13 Favored 'General case' 0 C--O 1.255 1.36 0 C-N-CA 123.644 0.777 . . . . 0.0 110.537 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.4 m -64.55 -34.85 79.2 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.883 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 57' ' ' ASN . 28.6 mt -73.96 -42.16 52.96 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 123.09 0.556 . . . . 0.0 110.674 -176.16 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -74.97 -18.07 60.44 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.621 0.368 . . . . 0.0 111.133 -178.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -86.58 -51.73 5.98 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.968 -0.457 . . . . 0.0 111.377 172.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -77.31 -48.81 16.44 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.079 0.552 . . . . 0.0 111.007 -170.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -84.51 144.15 28.89 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -125.17 -146.13 0.34 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.75 0.82 . . . . 0.0 108.925 -177.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.427 ' HA ' HD13 ' A' ' 25' ' ' LEU . 79.8 m -58.28 -59.4 5.38 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 118.335 0.516 . . . . 0.0 111.748 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.1 m -50.29 -48.7 54.89 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -165.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -62.82 -43.49 98.67 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.041 0.536 . . . . 0.0 111.28 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 mp -73.15 -33.28 65.4 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.989 -176.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.522 HG22 ' HE2' ' A' ' 74' ' ' LYS . 54.5 mt -67.42 -51.35 53.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 177.123 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.59 -39.76 81.27 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.418 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.3 -45.94 68.38 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.552 0.741 . . . . 0.0 112.627 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -66.41 -42.32 87.96 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 122.584 0.354 . . . . 0.0 110.354 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.522 ' HE2' HG22 ' A' ' 70' ' ' ILE . 56.2 mtmt -58.55 -54.37 47.83 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.318 175.077 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 31.6 t70 -53.89 -37.7 64.0 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.13 0.972 . . . . 0.0 111.509 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.403 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 8.5 t80 -66.75 -53.84 29.04 Favored 'General case' 0 C--O 1.255 1.388 0 C-N-CA 124.956 1.302 . . . . 0.0 111.825 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 63.8 m -66.66 -36.59 82.91 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.516 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -76.53 -25.98 54.71 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.951 0.9 . . . . 0.0 110.732 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 19.2 t-80 -69.95 -24.7 63.39 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 123.373 0.669 . . . . 0.0 109.926 173.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.113 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.009 169.683 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.441 ' SD ' ' HD3' ' A' ' 41' ' ' LYS . 8.3 ptm . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.79 46.15 90.31 Favored Glycine 0 C--N 1.343 0.95 0 N-CA-C 116.126 1.21 . . . . 0.0 116.126 165.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.5 p -82.26 83.44 7.41 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 172.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 -91.72 165.37 13.33 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.17 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.5 m -82.51 160.95 22.52 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 166.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.432 HG23 ' HG2' ' A' ' 74' ' ' LYS . 45.7 mm -59.1 -46.55 91.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 122.854 0.461 . . . . 0.0 110.781 -178.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.614 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 49.0 mt-10 -70.99 -25.6 62.77 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.741 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -66.21 -49.37 67.51 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 172.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.3 t -55.36 -57.33 7.75 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.58 0 C-N-CA 123.49 0.716 . . . . 0.0 110.704 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.614 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 13.5 pt-20 -65.51 -44.9 85.57 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -172.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -77.59 -25.04 49.59 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.609 0.363 . . . . 0.0 111.786 -173.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -103.45 -6.23 22.06 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 118.897 -0.573 . . . . 0.0 111.94 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.482 HD22 ' HG2' ' A' ' 32' ' ' LYS . 5.8 mt -61.97 114.07 3.17 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 118.784 0.72 . . . . 0.0 110.247 175.338 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.17 -6.06 32.16 Favored Glycine 0 CA--C 1.527 0.836 0 CA-C-N 115.701 -0.681 . . . . 0.0 113.334 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.4 p -92.65 168.09 11.46 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 117.216 0.508 . . . . 0.0 110.259 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.27 -28.29 69.62 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.422 0.689 . . . . 0.0 110.9 175.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -71.95 -43.91 64.46 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.439 1.096 . . . . 0.0 110.387 -177.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -134.68 88.97 27.02 Favored Pre-proline 0 CA--C 1.547 0.853 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.29 150.84 59.61 Favored 'Trans proline' 0 C--N 1.369 1.625 0 C-N-CA 122.088 1.859 . . . . 0.0 111.644 174.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.482 ' HG2' HD22 ' A' ' 25' ' ' LEU . 55.9 mtmt -56.33 -36.62 68.93 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.711 0.804 . . . . 0.0 110.72 175.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -48.47 -55.59 10.53 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.173 0.989 . . . . 0.0 111.701 173.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -65.28 -36.26 83.54 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.309 1.044 . . . . 0.0 111.991 -172.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.474 HD12 ' HB3' ' A' ' 69' ' ' LEU . 3.4 tm? -61.56 -57.3 12.62 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.421 0.629 . . . . 0.0 109.46 175.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.3 mt -58.76 -36.74 62.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.571 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 53.9 m -59.8 -48.44 81.67 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.318 1.047 . . . . 0.0 110.679 176.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.499 ' HD1' HD12 ' A' ' 39' ' ' LEU . 48.5 t80 -53.89 -52.27 61.04 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.325 0.65 . . . . 0.0 110.03 177.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.499 HD12 ' HD1' ' A' ' 38' ' ' TYR . 10.2 mp -62.86 -40.15 96.61 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.132 -175.293 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.43 ' HA ' HD21 ' A' ' 48' ' ' LEU . 10.2 pt20 -79.02 -17.62 55.0 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 121.82 -0.55 . . . . 0.0 112.034 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HD3' ' SD ' ' A' ' 13' ' ' MET . 59.6 mtpt -77.68 -49.62 14.12 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.344 0.257 . . . . 0.0 110.749 172.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -85.59 -46.3 10.94 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -172.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.41 162.74 27.61 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.145 0.498 . . . . 0.0 112.254 -178.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -82.31 161.48 22.6 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.068 173.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.58 -35.49 20.9 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.646 1.178 . . . . 0.0 112.745 -175.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.61 81.28 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.086 0.954 . . . . 0.0 112.75 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -71.61 -34.26 69.69 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.087 0.555 . . . . 0.0 110.619 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.497 HD12 ' HB2' ' A' ' 53' ' ' LEU . 2.3 mm? -73.93 -34.96 64.54 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.325 176.16 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -65.98 -32.29 73.68 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 120.798 0.332 . . . . 0.0 110.236 172.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -65.46 -53.47 42.32 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.268 1.027 . . . . 0.0 110.524 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -95.46 14.04 23.96 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -174.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.426 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 11.5 mmpt? 68.74 20.66 8.07 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 124.752 1.221 . . . . 0.0 111.786 174.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.497 ' HB2' HD12 ' A' ' 48' ' ' LEU . 13.6 mt -92.93 11.42 27.35 Favored 'General case' 0 CA--C 1.564 1.496 0 C-N-CA 124.439 1.095 . . . . 0.0 111.241 178.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.6 t -75.31 -22.55 57.61 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -81.14 -162.11 27.97 Favored Glycine 0 N--CA 1.475 1.292 0 CA-C-O 120.385 -0.119 . . . . 0.0 113.15 -177.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.3 t -71.59 126.79 30.61 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 176.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.571 ' HA ' HD12 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -53.94 -30.19 45.54 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.453 1.101 . . . . 0.0 111.683 -172.828 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -58.19 -53.9 53.07 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.172 0.989 . . . . 0.0 111.775 174.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.4 t -69.97 -27.19 64.52 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.943 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 57' ' ' ASN . 57.9 mt -71.95 -49.37 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 122.403 0.281 . . . . 0.0 110.533 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -64.92 -32.05 73.58 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.318 0.247 . . . . 0.0 110.992 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -81.14 -38.01 27.88 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -94.55 -42.47 8.8 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 122.241 -0.287 . . . . 0.0 111.698 -172.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.417 ' HA ' ' NE ' ' A' ' 64' ' ' ARG . 14.8 mmp_? -75.79 137.87 40.81 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 121.104 0.478 . . . . 0.0 110.734 -177.194 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -75.55 154.74 36.62 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 114.583 -1.189 . . . . 0.0 109.576 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.417 ' O ' HG13 ' A' ' 70' ' ' ILE . 26.0 p -58.65 -36.29 73.88 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.373 0.669 . . . . 0.0 111.211 -178.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.8 m -59.36 -36.69 76.2 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.576 0.75 . . . . 0.0 112.249 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -61.73 -42.51 99.05 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 122.893 0.477 . . . . 0.0 110.525 173.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.474 ' HB3' HD12 ' A' ' 35' ' ' LEU . 54.2 mt -75.33 -35.49 61.2 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.359 1.064 . . . . 0.0 111.306 -173.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.469 ' O ' ' HG3' ' A' ' 74' ' ' LYS . 63.7 mt -66.05 -58.43 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 176.417 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.83 -33.09 66.42 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 124.424 1.078 . . . . 0.0 111.756 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.18 -53.48 56.4 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.536 0.734 . . . . 0.0 111.933 173.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -64.33 -39.15 93.33 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 122.796 0.439 . . . . 0.0 110.933 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 70' ' ' ILE . 56.0 mtpt -59.4 -55.34 35.97 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.526 0.73 . . . . 0.0 110.072 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.17 -35.4 75.28 Favored 'General case' 0 C--O 1.204 -1.326 0 CA-C-N 114.673 -1.149 . . . . 0.0 110.257 -176.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.2 -58.74 6.63 Favored 'General case' 0 C--O 1.256 1.444 0 C-N-CA 123.96 0.904 . . . . 0.0 110.795 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 74.7 m -59.59 -35.86 75.14 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.094 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -79.38 -37.03 38.29 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.59 0.756 . . . . 0.0 111.767 -178.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -78.95 -9.53 59.54 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 123.495 0.718 . . . . 0.0 111.063 -176.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.446 0 C-N-CA 120.085 -1.055 . . . . 0.0 112.91 175.959 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.774 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.44 26.58 67.53 Favored Glycine 0 C--N 1.338 0.668 0 N-CA-C 114.118 0.407 . . . . 0.0 114.118 172.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.7 p -80.31 91.27 5.62 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 174.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -99.49 178.98 4.71 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.303 0.641 . . . . 0.0 110.672 -177.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.3 m -98.85 168.95 9.8 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.591 0.756 . . . . 0.0 109.231 168.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.577 HD12 ' HG2' ' A' ' 74' ' ' LYS . 49.3 mm -57.57 -44.22 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 123.653 0.781 . . . . 0.0 110.234 178.366 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.605 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 44.5 mt-10 -71.73 -33.89 69.1 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.384 -175.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -63.89 -45.48 89.17 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 175.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.8 t -56.14 -60.36 1.91 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.482 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.115 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.605 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 10.7 pt-20 -64.08 -42.79 96.84 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -171.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -76.25 -37.0 58.21 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.958 0.503 . . . . 0.0 111.769 -173.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -92.09 -10.44 38.99 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-O 119.165 -0.445 . . . . 0.0 111.472 -177.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.408 HD13 ' HB2' ' A' ' 66' ' ' CYS . 5.4 mt -59.17 113.44 2.13 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 118.259 0.481 . . . . 0.0 111.555 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.23 -27.54 6.65 Favored Glycine 0 C--N 1.343 0.931 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.917 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.1 p -79.28 176.84 9.31 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.062 0.545 . . . . 0.0 110.22 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -77.07 -22.28 53.09 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 172.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -59.2 -50.6 73.4 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.079 0.551 . . . . 0.0 110.085 174.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -138.86 82.97 19.49 Favored Pre-proline 0 N--CA 1.473 0.688 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.389 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.454 ' HG2' ' HB2' ' A' ' 34' ' ' ASP . 36.5 Cg_endo -67.92 155.12 70.95 Favored 'Trans proline' 0 C--N 1.369 1.609 0 C-N-CA 121.953 1.768 . . . . 0.0 111.117 173.066 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -54.57 -46.01 73.61 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.406 0.682 . . . . 0.0 110.8 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -53.47 -40.57 65.4 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.668 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.454 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 38.8 t70 -72.47 -33.86 67.31 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.321 0.648 . . . . 0.0 111.69 -173.301 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.57 -47.98 73.95 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 174.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.3 mt -57.68 -40.36 74.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.388 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 63.7 m -63.05 -49.96 72.5 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.279 1.032 . . . . 0.0 110.879 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -58.08 -44.22 87.43 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.975 0.51 . . . . 0.0 110.601 178.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.42 -41.8 98.7 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.012 0.525 . . . . 0.0 111.657 -178.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.436 ' HA ' HD21 ' A' ' 48' ' ' LEU . 8.8 pt20 -77.81 -18.13 56.7 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 122.139 -0.351 . . . . 0.0 111.818 179.07 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -78.69 -48.78 14.3 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 122.41 0.284 . . . . 0.0 111.123 172.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -88.39 -46.72 8.93 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.146 0.578 . . . . 0.0 112.408 -170.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.15 163.37 25.9 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 122.635 0.374 . . . . 0.0 111.49 -177.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -76.97 159.39 29.98 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.229 172.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.0 -32.79 64.27 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.691 0.796 . . . . 0.0 112.034 -175.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.51 -41.56 66.46 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.413 1.085 . . . . 0.0 112.156 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -66.22 -42.1 89.15 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.222 -177.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.495 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.8 mm? -73.14 -28.77 62.43 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.463 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -77.53 -21.26 52.91 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.017 0.527 . . . . 0.0 111.02 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -77.3 -50.13 13.5 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.617 0.767 . . . . 0.0 109.965 174.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -91.39 8.3 36.89 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.556 0.743 . . . . 0.0 111.649 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm 59.59 23.71 12.45 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 124.766 1.226 . . . . 0.0 112.323 174.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.495 ' HB2' HD12 ' A' ' 48' ' ' LEU . 22.9 mt -82.6 1.47 38.02 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 124.288 1.035 . . . . 0.0 109.887 174.058 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.5 t -69.76 -13.85 62.49 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.009 1.323 . . . . 0.0 112.359 175.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.97 -168.66 37.74 Favored Glycine 0 C--N 1.352 1.421 0 O-C-N 122.934 0.146 . . . . 0.0 113.027 178.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.7 t -77.25 131.2 38.07 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 173.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.549 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.5 m-20 -56.32 -25.54 49.16 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.595 0.758 . . . . 0.0 112.847 -174.149 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.1 ttmp? -59.44 -55.03 39.76 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 123.678 0.611 . . . . 0.0 110.418 175.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.5 m -66.6 -35.36 80.0 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.083 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' A' ' 57' ' ' ASN . 60.2 mt -65.14 -53.59 39.11 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 O-C-N 123.583 0.552 . . . . 0.0 111.293 -178.212 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -69.24 -27.36 65.38 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 117.655 0.207 . . . . 0.0 111.062 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -73.05 -46.65 50.54 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.144 0.577 . . . . 0.0 110.856 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -88.52 -45.95 9.5 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.658 0.783 . . . . 0.0 111.208 -172.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.497 ' HD3' HG23 ' A' ' 60' ' ' ILE . 74.1 mtp85 -90.37 151.33 21.49 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.614 0.766 . . . . 0.0 110.151 -179.211 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -103.87 169.86 8.26 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.103 -176.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.485 ' O ' HG13 ' A' ' 70' ' ' ILE . 28.2 p -59.81 -29.45 68.25 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.528 0.731 . . . . 0.0 111.182 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.0 m -50.82 -45.33 59.41 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.453 1.101 . . . . 0.0 112.252 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -66.09 -37.76 86.58 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.964 0.906 . . . . 0.0 111.541 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.5 mp -72.04 -33.85 68.33 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.37 1.068 . . . . 0.0 111.777 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 66' ' ' CYS . 32.3 mt -68.88 -48.11 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 175.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.62 -37.47 75.94 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.342 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.3 -44.6 67.99 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.656 0.782 . . . . 0.0 112.036 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -67.51 -38.48 84.35 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -178.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.577 ' HG2' HD12 ' A' ' 18' ' ' ILE . 55.9 mtmt -61.4 -51.71 67.6 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.376 173.263 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -59.92 -31.95 70.31 Favored 'General case' 0 C--O 1.201 -1.462 0 O-C-N 123.642 0.589 . . . . 0.0 111.132 -177.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -67.58 -53.66 26.33 Favored 'General case' 0 C--O 1.253 1.267 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 175.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 42.7 t -60.14 -32.07 70.67 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 114.679 -1.146 . . . . 0.0 112.077 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 27.4 mm-40 -89.51 -36.99 15.07 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.69 0.796 . . . . 0.0 111.256 -176.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -81.06 2.88 25.25 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 123.6 0.76 . . . . 0.0 110.95 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.513 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.842 166.539 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.6 ptm . . . . . 0 N--CA 1.469 0.523 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 54.99 47.78 70.94 Favored Glycine 0 C--N 1.348 1.21 0 O-C-N 123.564 0.54 . . . . 0.0 114.439 169.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.2 m -88.45 95.02 10.05 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 175.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.413 ' CE2' HD21 ' A' ' 30' ' ' LEU . 3.5 m-90 -97.97 179.37 4.81 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-O 121.505 0.669 . . . . 0.0 111.325 -173.433 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.7 m -92.54 163.62 13.75 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.006 166.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.571 HD12 ' HG2' ' A' ' 74' ' ' LYS . 50.5 mm -60.02 -46.14 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.383 0.673 . . . . 0.0 110.997 -177.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.525 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 1.2 tt0 -69.44 -35.02 75.28 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.338 -175.142 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -59.15 -45.5 90.8 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.3 t -55.57 -63.37 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.469 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.525 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 11.3 pt-20 -62.63 -44.34 96.53 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -171.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -73.17 -35.39 66.41 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.985 0.514 . . . . 0.0 111.248 -173.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -97.8 -6.56 32.43 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-O 119.173 -0.441 . . . . 0.0 111.986 -176.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.437 HD22 ' HG2' ' A' ' 32' ' ' LYS . 6.8 mt -60.92 121.48 12.48 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-N 118.508 0.595 . . . . 0.0 111.855 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.81 -0.87 55.26 Favored Glycine 0 C--N 1.344 0.987 0 CA-C-N 115.572 -0.74 . . . . 0.0 113.207 178.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.5 p -98.09 -177.86 3.87 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 117.5 0.65 . . . . 0.0 110.411 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -71.99 -22.16 61.46 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.262 0.625 . . . . 0.0 110.32 171.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -76.19 -50.62 14.03 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.789 0.836 . . . . 0.0 110.195 -175.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.413 HD21 ' CE2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -130.82 87.27 49.77 Favored Pre-proline 0 N--CA 1.476 0.838 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 176.17 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -68.33 145.86 67.1 Favored 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 121.954 1.769 . . . . 0.0 110.909 173.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.586 ' HD3' ' SG ' ' A' ' 66' ' ' CYS . 49.7 mtmt -56.35 -38.18 71.02 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.596 0.759 . . . . 0.0 111.859 -177.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.408 ' HB2' ' HD3' ' A' ' 61' ' ' ARG . 2.2 t30 -55.8 -44.83 78.2 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 124.069 0.856 . . . . 0.0 110.803 -178.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -70.32 -30.18 67.09 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.739 0.815 . . . . 0.0 111.71 -173.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.11 -50.83 60.13 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 175.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.441 HD13 HG22 ' A' ' 60' ' ' ILE . 46.9 mt -61.12 -38.03 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.631 178.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 56.7 m -56.84 -51.35 69.34 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.656 1.183 . . . . 0.0 109.726 177.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -53.9 -49.19 69.15 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.999 0.812 . . . . 0.0 110.379 176.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.23 -43.01 99.79 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.832 -175.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.41 ' HA ' HD21 ' A' ' 48' ' ' LEU . 9.7 pt20 -80.55 -19.28 46.04 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.705 -0.622 . . . . 0.0 112.211 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -82.33 -40.13 21.86 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.513 0.325 . . . . 0.0 111.505 174.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -94.38 -23.7 17.67 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.446 0.698 . . . . 0.0 112.324 -171.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -107.9 174.08 6.04 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -175.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.434 ' O ' HD22 ' A' ' 48' ' ' LEU . 5.6 m-20 -90.88 162.56 14.74 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.787 1.235 . . . . 0.0 110.753 -177.611 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.24 -35.89 67.9 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.342 0.657 . . . . 0.0 111.827 -177.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.33 -41.06 75.44 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.017 0.927 . . . . 0.0 111.657 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -65.29 -45.4 84.57 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.519 -177.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.434 HD22 ' O ' ' A' ' 44' ' ' ASP . 1.5 mm? -69.91 -42.76 72.91 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.838 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.64 -24.51 67.05 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.063 0.545 . . . . 0.0 111.21 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -74.14 -53.87 8.97 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.631 0.773 . . . . 0.0 110.327 173.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -86.3 10.21 15.51 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.428 0.691 . . . . 0.0 112.59 -174.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt 66.48 22.78 10.6 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.779 1.231 . . . . 0.0 111.091 173.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.416 ' HB2' HD12 ' A' ' 48' ' ' LEU . 28.1 mt -95.47 15.65 19.1 Favored 'General case' 0 CA--C 1.56 1.336 0 C-N-CA 125.053 1.341 . . . . 0.0 111.93 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.3 t -81.94 -9.46 59.57 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 -174.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -87.36 -147.75 12.73 Favored Glycine 0 N--CA 1.48 1.622 0 CA-C-N 117.603 0.183 . . . . 0.0 113.158 -178.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.3 t -90.1 128.7 36.38 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 176.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -56.32 -27.1 54.6 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 124.25 1.02 . . . . 0.0 112.284 -169.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -62.88 -53.87 47.52 Favored 'General case' 0 C--O 1.249 1.046 0 C-N-CA 123.577 0.751 . . . . 0.0 110.916 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 m -68.46 -33.44 74.18 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.533 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.441 HG22 HD13 ' A' ' 36' ' ' ILE . 85.4 mt -65.55 -44.33 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 122.881 0.472 . . . . 0.0 111.076 -178.1 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.408 ' HD3' ' HB2' ' A' ' 33' ' ' ASN . 20.9 ptt85 -69.2 -32.49 71.8 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 121.848 -0.533 . . . . 0.0 109.889 176.627 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -72.58 -30.32 64.29 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 123.238 0.615 . . . . 0.0 112.477 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -103.83 -48.13 4.01 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.872 0.469 . . . . 0.0 111.466 -174.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.465 ' NH2' ' HG3' ' A' ' 68' ' ' GLN . 18.3 mmm180 -76.38 140.12 41.24 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -175.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -85.21 156.92 20.78 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.645 -175.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.586 ' SG ' ' HD3' ' A' ' 32' ' ' LYS . 87.4 m -56.74 -39.56 74.17 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.398 0.679 . . . . 0.0 110.661 177.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.486 ' HA ' HD12 ' A' ' 70' ' ' ILE . 16.3 m -54.91 -38.02 67.1 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.424 1.09 . . . . 0.0 111.944 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.465 ' HG3' ' NH2' ' A' ' 64' ' ' ARG . 1.2 tm0? -65.55 -46.56 79.05 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.773 0.829 . . . . 0.0 110.3 176.088 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.8 mp -64.41 -35.84 82.21 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.788 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 67' ' ' SER . 32.7 mt -67.02 -50.16 66.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 176.473 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.88 -33.24 70.27 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.114 0.966 . . . . 0.0 111.786 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.65 -46.59 37.1 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.519 0.728 . . . . 0.0 110.915 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -65.72 -38.23 88.6 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.724 0.41 . . . . 0.0 110.251 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.571 ' HG2' HD12 ' A' ' 18' ' ' ILE . 58.9 mtmt -62.56 -56.48 17.56 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.26 0.624 . . . . 0.0 109.558 175.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -50.25 -40.86 49.16 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.981 0.913 . . . . 0.0 111.315 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -67.35 -46.87 72.1 Favored 'General case' 0 C--O 1.25 1.105 0 C-N-CA 124.346 1.059 . . . . 0.0 111.485 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 43.5 t -62.76 -36.09 81.92 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.417 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 11.9 mm-40 -84.07 -24.87 30.21 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.9 0.88 . . . . 0.0 110.46 -177.478 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -68.22 -23.21 64.79 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.485 0.714 . . . . 0.0 110.151 168.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 1.24 0 N-CA-C 112.017 -0.433 . . . . 0.0 112.017 169.582 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.683 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.96 13.0 83.85 Favored Glycine 0 C--N 1.339 0.733 0 N-CA-C 114.821 0.688 . . . . 0.0 114.821 169.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.6 t -84.93 95.5 9.06 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 172.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 -102.03 165.87 10.93 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.282 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.4 m -71.13 152.82 43.06 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 166.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.629 HD12 ' HG2' ' A' ' 74' ' ' LYS . 50.3 mm -56.66 -41.39 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 122.948 0.499 . . . . 0.0 109.695 175.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.575 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 38.1 mt-10 -69.55 -34.79 74.7 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.863 178.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -64.68 -45.01 88.5 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 176.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.5 t -56.39 -59.75 2.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 O-C-N 124.216 0.947 . . . . 0.0 110.08 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.575 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 13.1 pt-20 -65.76 -37.75 87.21 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -171.16 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -83.75 -24.64 31.04 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.777 0.431 . . . . 0.0 111.966 -173.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -101.56 -8.53 21.8 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 25' ' ' LEU . 7.1 mt -64.86 115.72 5.62 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 118.608 0.64 . . . . 0.0 110.015 177.104 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.6 -17.36 12.23 Favored Glycine 0 C--N 1.338 0.647 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.152 -177.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.2 p -82.58 177.11 8.88 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 173.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -84.92 -13.43 50.83 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.04 0.536 . . . . 0.0 110.431 171.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -78.45 -40.57 35.29 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.84 0.856 . . . . 0.0 110.483 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.69 79.29 64.65 Favored Pre-proline 0 C--O 1.241 0.64 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 170.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.95 154.25 63.11 Favored 'Trans proline' 0 C--N 1.371 1.714 0 C-N-CA 121.767 1.644 . . . . 0.0 111.4 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -58.12 -38.89 77.39 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.343 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -49.81 -51.12 42.08 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.597 1.159 . . . . 0.0 111.109 173.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -66.81 -36.77 83.13 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.072 0.949 . . . . 0.0 111.723 -172.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.49 HD12 ' HB3' ' A' ' 69' ' ' LEU . 2.8 tm? -63.2 -51.45 66.29 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.46 HG23 ' HB3' ' A' ' 53' ' ' LEU . 71.4 mt -59.34 -37.61 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.74 178.322 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.5 m -62.16 -52.28 64.44 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 124.09 0.869 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.429 ' HD1' HD12 ' A' ' 39' ' ' LEU . 36.8 t80 -55.61 -46.58 77.32 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.065 0.546 . . . . 0.0 110.273 177.02 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.429 HD12 ' HD1' ' A' ' 38' ' ' TYR . 6.3 mp -58.91 -44.14 91.2 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.509 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.441 ' HA ' HD21 ' A' ' 48' ' ' LEU . 1.6 pt20 -79.3 -19.39 50.55 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -74.06 -49.44 24.13 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.11 0.481 . . . . 0.0 110.333 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -93.09 -24.82 18.16 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.685 -167.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.45 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . . . -88.89 173.75 8.33 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.409 0.623 . . . . 0.0 112.353 176.047 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -87.9 157.38 18.98 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 114.666 -1.152 . . . . 0.0 108.766 169.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.21 -29.73 47.35 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.759 0.823 . . . . 0.0 112.246 -174.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.86 -43.0 80.75 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.791 1.236 . . . . 0.0 112.388 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -64.05 -40.4 96.22 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.767 0.827 . . . . 0.0 110.424 -177.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.473 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.4 mm? -76.61 -29.12 56.39 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.677 -178.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -70.26 -29.39 66.17 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 122.672 0.389 . . . . 0.0 110.563 173.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -70.53 -59.19 2.98 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.66 0.784 . . . . 0.0 110.729 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -81.48 1.19 34.43 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.614 0.766 . . . . 0.0 112.335 -177.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? 69.12 24.03 6.25 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 124.731 1.213 . . . . 0.0 111.619 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.473 ' HB2' HD12 ' A' ' 48' ' ' LEU . 16.5 mt -86.84 6.02 33.82 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 124.334 1.054 . . . . 0.0 111.246 177.02 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.4 t -78.97 -13.19 59.94 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 123.768 0.827 . . . . 0.0 112.765 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.86 -155.39 10.36 Favored Glycine 0 C--N 1.354 1.555 0 C-N-CA 122.495 0.093 . . . . 0.0 113.119 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.405 ' O ' HG13 ' A' ' 60' ' ' ILE . 9.8 t -85.29 132.65 34.23 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 173.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.514 ' HA ' HD12 ' A' ' 60' ' ' ILE . 16.2 m120 -51.99 -32.27 33.04 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.469 1.108 . . . . 0.0 113.064 -171.15 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -59.47 -55.04 39.63 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.837 0.855 . . . . 0.0 110.865 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.9 m -69.58 -33.48 72.78 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.423 -176.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 57' ' ' ASN . 49.9 mt -65.22 -52.32 54.1 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.093 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.661 -179.036 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -68.82 -27.79 66.16 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.376 0.27 . . . . 0.0 110.922 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -65.38 -44.4 87.68 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.488 0.715 . . . . 0.0 110.325 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -87.02 -53.21 5.0 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 121.109 0.481 . . . . 0.0 111.058 -177.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -84.88 103.41 13.92 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.12 0.968 . . . . 0.0 108.536 -177.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -70.67 172.59 8.41 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.963 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.484 ' O ' HG13 ' A' ' 70' ' ' ILE . 75.5 m -50.96 -40.67 58.22 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.785 -1.098 . . . . 0.0 112.545 -176.107 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.454 ' HA ' HD12 ' A' ' 70' ' ' ILE . 12.6 m -52.02 -46.98 65.21 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.564 1.146 . . . . 0.0 112.251 -177.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -65.42 -38.3 89.51 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.348 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.49 ' HB3' HD12 ' A' ' 35' ' ' LEU . 58.1 mt -74.84 -24.71 58.64 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.575 -177.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 66' ' ' CYS . 62.2 mt -70.29 -50.9 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 172.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.43 -34.06 73.43 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.352 177.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.88 -47.8 61.2 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.65 0.78 . . . . 0.0 111.956 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -66.4 -38.96 88.66 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 122.835 0.454 . . . . 0.0 110.477 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.629 ' HG2' HD12 ' A' ' 18' ' ' ILE . 55.7 mtmt -61.63 -54.95 36.01 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 175.358 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 20.2 t70 -52.88 -36.34 59.12 Favored 'General case' 0 C--O 1.204 -1.322 0 O-C-N 124.205 0.941 . . . . 0.0 110.928 -179.01 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.45 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 7.3 t80 -66.8 -51.94 49.78 Favored 'General case' 0 C--O 1.258 1.536 0 C-N-CA 125.091 1.356 . . . . 0.0 111.653 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 41.5 t -63.57 -36.31 83.38 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.318 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 13.6 mm-40 -82.07 -24.37 35.29 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.017 0.927 . . . . 0.0 110.714 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.425 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 36.2 t-80 -66.98 -32.28 73.41 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.927 0.891 . . . . 0.0 109.781 174.15 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.127 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.866 176.282 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.852 0 CA-C-O 120.576 0.227 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.33 39.35 31.38 Favored Glycine 0 C--N 1.334 0.431 0 CA-C-N 116.183 -0.462 . . . . 0.0 113.878 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.1 p -91.5 107.66 19.36 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 169.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -114.23 167.04 11.04 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.422 0.689 . . . . 0.0 110.648 -172.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.3 m -76.23 158.88 31.17 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 166.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.43 HD12 ' HG2' ' A' ' 74' ' ' LYS . 49.0 mm -55.06 -44.14 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 123.054 0.542 . . . . 0.0 110.199 175.225 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.556 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 38.5 mt-10 -66.86 -38.59 86.64 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.377 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -63.73 -44.54 93.24 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 176.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.3 t -55.01 -60.97 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.487 0.715 . . . . 0.0 110.089 176.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.556 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.8 pt-20 -63.17 -46.52 86.72 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.346 0.658 . . . . 0.0 112.715 -169.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -71.83 -41.79 67.73 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 122.971 0.508 . . . . 0.0 110.826 -173.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -90.43 -8.84 49.52 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 119.004 -0.522 . . . . 0.0 111.507 -173.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mt -57.18 125.41 22.6 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 122.899 0.48 . . . . 0.0 111.565 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.9 -3.94 52.65 Favored Glycine 0 C--N 1.345 1.056 0 CA-C-N 115.504 -0.771 . . . . 0.0 113.207 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.2 p -100.19 -173.48 2.44 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 117.338 0.569 . . . . 0.0 110.383 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -79.72 -26.27 40.9 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.908 0.483 . . . . 0.0 110.223 170.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -63.1 -53.19 57.49 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.224 0.61 . . . . 0.0 109.668 176.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 30' ' ' LEU . 1.1 tm? -136.07 88.02 22.78 Favored Pre-proline 0 CA--C 1.542 0.654 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.083 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.91 157.58 54.55 Favored 'Trans proline' 0 C--N 1.364 1.38 0 C-N-CA 121.932 1.754 . . . . 0.0 111.332 173.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -55.37 -47.28 76.04 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.431 0.692 . . . . 0.0 110.64 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.409 ' OD1' ' HB3' ' A' ' 57' ' ' ASN . 5.0 t30 -57.74 -38.08 74.73 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.175 0.99 . . . . 0.0 111.914 -175.114 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -69.44 -37.34 77.34 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.579 0.752 . . . . 0.0 111.048 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.33 -51.52 67.31 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.942 0.897 . . . . 0.0 109.077 173.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.7 mt -57.41 -42.68 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 C-N-CA 124.942 1.297 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 85.5 m -64.65 -47.45 78.45 Favored 'General case' 0 C--N 1.347 0.465 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.065 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -58.39 -41.42 84.83 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.805 0.442 . . . . 0.0 110.828 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.404 HD11 ' HD1' ' A' ' 73' ' ' TYR . 9.2 mp -68.96 -36.98 78.55 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 122.828 0.451 . . . . 0.0 111.998 -178.539 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.02 -17.8 56.65 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 118.794 0.724 . . . . 0.0 111.603 176.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -80.35 -41.77 24.13 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.413 0.285 . . . . 0.0 110.879 172.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -89.77 -45.05 9.57 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -174.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.6 154.55 20.96 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.127 0.571 . . . . 0.0 111.821 -176.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -73.43 159.6 33.01 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.266 173.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.23 -31.32 31.62 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.434 1.094 . . . . 0.0 112.774 -174.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.28 -42.04 90.33 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.168 0.987 . . . . 0.0 112.333 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -67.25 -38.86 85.86 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.579 -177.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.524 HD12 ' HB2' ' A' ' 53' ' ' LEU . 2.0 mm? -71.74 -32.14 67.42 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.429 178.224 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -70.99 -25.81 62.86 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 122.634 0.374 . . . . 0.0 111.097 174.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -71.52 -53.91 12.29 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.152 0.581 . . . . 0.0 109.879 175.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -94.32 12.64 26.23 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.415 0.686 . . . . 0.0 112.633 -172.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.621 ' HB2' ' HD2' ' A' ' 64' ' ' ARG . 11.0 mmpt? 66.47 22.67 10.63 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.54 1.136 . . . . 0.0 112.0 172.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.524 ' HB2' HD12 ' A' ' 48' ' ' LEU . 19.6 mt -91.05 7.97 37.79 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.839 0.855 . . . . 0.0 110.565 177.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -82.09 -12.47 58.2 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 124.38 1.072 . . . . 0.0 112.7 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -77.82 -161.68 16.72 Favored Glycine 0 C--N 1.355 1.607 0 CA-C-O 120.18 -0.233 . . . . 0.0 112.798 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.41 ' O ' HG13 ' A' ' 60' ' ' ILE . 6.9 t -80.29 129.71 34.69 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 170.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.525 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.6 m-20 -51.76 -26.04 8.77 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 124.28 1.032 . . . . 0.0 113.774 -172.121 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -68.92 -49.76 55.31 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 123.382 0.673 . . . . 0.0 110.302 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.8 m -68.87 -27.74 66.07 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.252 177.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 57' ' ' ASN . 61.6 mt -71.76 -49.98 41.84 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 C-N-CA 122.85 0.46 . . . . 0.0 110.098 178.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -67.94 -19.68 65.0 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 122.156 -0.34 . . . . 0.0 111.327 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -79.13 -53.82 6.61 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 171.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -91.01 -14.54 31.22 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -167.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.621 ' HD2' ' HB2' ' A' ' 52' ' ' LYS . 3.1 mmp_? -103.15 110.0 21.78 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 176.341 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -65.42 166.75 9.7 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.177 177.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.51 ' O ' HG13 ' A' ' 70' ' ' ILE . 24.6 p -58.26 -44.91 88.6 Favored 'General case' 0 C--O 1.213 -0.849 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.499 175.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.56 ' HA ' HD12 ' A' ' 70' ' ' ILE . 48.3 m -55.65 -33.46 64.08 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.029 0.932 . . . . 0.0 112.873 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.1 -44.13 73.08 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.567 0.747 . . . . 0.0 109.111 178.068 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.2 mt -73.67 -24.61 60.0 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.471 1.109 . . . . 0.0 112.524 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.56 HD12 ' HA ' ' A' ' 67' ' ' SER . 56.5 mt -72.35 -48.75 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 173.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.34 -34.65 70.87 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.963 0.789 . . . . 0.0 111.326 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.89 -53.73 19.54 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.249 0.62 . . . . 0.0 111.556 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.404 ' HD1' HD11 ' A' ' 39' ' ' LEU . 39.2 t80 -65.52 -36.95 85.32 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.003 0.521 . . . . 0.0 110.474 -178.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.548 ' HE2' HG22 ' A' ' 70' ' ' ILE . 53.6 mtmt -63.83 -52.46 60.04 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 122.759 0.424 . . . . 0.0 110.438 176.374 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 31.1 t70 -55.89 -39.72 71.99 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 123.784 0.677 . . . . 0.0 110.709 -177.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -60.36 -53.46 57.3 Favored 'General case' 0 C--O 1.258 1.508 0 C-N-CA 124.443 1.097 . . . . 0.0 110.606 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 84.3 m -69.7 -34.43 73.89 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 114.395 -1.275 . . . . 0.0 112.913 -176.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -79.71 -26.31 40.9 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.459 1.103 . . . . 0.0 110.21 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.453 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 3.9 t60 -65.8 -39.09 90.57 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.89 0.876 . . . . 0.0 108.865 173.59 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.103 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 179.609 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.37 22.99 61.56 Favored Glycine 0 C--N 1.336 0.53 0 O-C-N 123.539 0.524 . . . . 0.0 114.282 175.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.6 p -87.86 78.3 8.36 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 173.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -90.95 172.93 8.25 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.344 0.657 . . . . 0.0 110.354 -175.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.6 m -85.23 157.5 20.59 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 164.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.3 mm -59.0 -41.49 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 123.341 0.656 . . . . 0.0 111.407 -178.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.546 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 42.5 mt-10 -68.41 -34.85 76.74 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.554 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -62.63 -39.77 94.88 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 173.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 68.9 t -61.65 -56.59 16.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.436 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.546 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 9.2 pt-20 -65.25 -36.4 84.02 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -173.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -81.35 -34.24 31.91 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.03 0.206 . . . . 0.0 111.445 -177.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -101.98 -0.3 33.96 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -175.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.7 mt -61.83 122.77 16.24 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 119.085 0.857 . . . . 0.0 111.201 177.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.7 10.58 60.11 Favored Glycine 0 C--N 1.349 1.255 0 CA-C-N 115.521 -0.763 . . . . 0.0 113.826 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.4 p -100.84 -171.3 1.98 Allowed 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 117.55 0.675 . . . . 0.0 110.634 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -79.74 -28.08 40.49 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.17 0.588 . . . . 0.0 110.593 172.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -68.26 -44.24 76.03 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.514 0.725 . . . . 0.0 110.123 176.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.0 tp -144.09 93.81 5.95 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.538 177.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -62.16 152.0 78.59 Favored 'Trans proline' 0 C--N 1.362 1.274 0 C-N-CA 121.896 1.731 . . . . 0.0 110.764 164.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -57.15 -34.47 68.46 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.043 0.537 . . . . 0.0 109.968 172.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -57.76 -49.99 74.73 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.586 177.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -66.51 -33.34 75.47 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.632 0.773 . . . . 0.0 111.351 -171.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' A' ' 69' ' ' LEU . 3.5 tm? -60.68 -58.05 10.12 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.387 173.291 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.7 mt -59.63 -36.54 65.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.788 -177.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.8 m -58.65 -52.37 65.98 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.38 1.072 . . . . 0.0 110.177 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.455 ' HD1' HD12 ' A' ' 39' ' ' LEU . 61.8 t80 -54.58 -46.18 73.71 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.406 0.682 . . . . 0.0 110.176 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.455 HD12 ' HD1' ' A' ' 38' ' ' TYR . 9.7 mp -63.88 -42.45 97.5 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.075 -0.512 . . . . 0.0 112.327 -176.277 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -82.47 -16.51 48.56 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.669 -0.645 . . . . 0.0 112.281 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.5 mtpm? -77.24 -45.52 26.2 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.712 0.405 . . . . 0.0 111.224 171.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -87.49 -45.93 10.05 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.578 -172.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.52 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . . . -77.11 157.37 31.07 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 121.118 0.485 . . . . 0.0 111.918 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -76.57 158.89 30.78 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.572 167.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.86 -29.73 42.64 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.965 0.906 . . . . 0.0 112.825 -171.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.55 -44.85 73.25 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.547 1.139 . . . . 0.0 112.145 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -64.34 -42.98 95.97 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.41 -176.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.44 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.5 mm? -73.57 -28.66 61.97 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.613 -178.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -74.32 -21.77 59.56 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.855 0.462 . . . . 0.0 111.141 174.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -76.69 -49.28 16.48 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 122.61 0.364 . . . . 0.0 110.032 172.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -93.1 9.87 34.03 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -173.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.409 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 11.6 mmpt? 64.37 20.51 12.19 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 124.547 1.139 . . . . 0.0 111.67 175.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.603 ' HA ' HD13 ' A' ' 60' ' ' ILE . 32.0 mt -89.43 1.42 55.88 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 124.026 0.93 . . . . 0.0 110.629 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.2 t -74.52 -11.98 60.36 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.068 0.947 . . . . 0.0 112.554 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -78.8 -169.51 36.44 Favored Glycine 0 C--N 1.352 1.457 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 175.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.8 t -73.97 127.53 33.11 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 117.158 0.479 . . . . 0.0 109.72 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.571 ' HA ' HD12 ' A' ' 60' ' ' ILE . 40.2 t-20 -53.25 -36.15 60.79 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.914 1.286 . . . . 0.0 112.298 -170.095 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -58.72 -53.05 62.69 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.342 1.057 . . . . 0.0 111.054 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.402 ' HA ' ' HE2' ' A' ' 62' ' ' LYS . 28.8 t -62.62 -42.88 99.84 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.137 178.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.603 HD13 ' HA ' ' A' ' 53' ' ' LEU . 71.2 mt -57.04 -60.42 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 O-C-N 124.077 0.86 . . . . 0.0 110.569 -176.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -60.69 -30.98 70.26 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.848 0.459 . . . . 0.0 111.982 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.402 ' HE2' ' HA ' ' A' ' 59' ' ' SER . 38.3 ttpt -68.82 -39.5 80.01 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 122.887 0.475 . . . . 0.0 111.488 175.218 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -90.88 -18.71 24.33 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.934 0.894 . . . . 0.0 111.884 -173.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.508 ' HD3' ' HG3' ' A' ' 68' ' ' GLN . 7.9 mmp_? -107.58 148.54 29.16 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.41 0.684 . . . . 0.0 110.223 -176.1 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -78.09 167.51 21.32 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.151 171.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.466 ' O ' HG13 ' A' ' 70' ' ' ILE . 25.1 p -57.74 -42.06 83.14 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 170.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.604 ' HA ' HD12 ' A' ' 70' ' ' ILE . 22.9 m -51.86 -37.58 52.64 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.926 1.29 . . . . 0.0 113.589 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.508 ' HG3' ' HD3' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -66.29 -46.43 77.01 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 121.241 0.543 . . . . 0.0 109.716 178.202 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.439 ' HB3' HD12 ' A' ' 35' ' ' LEU . 55.8 mt -71.93 -31.75 66.65 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.897 -173.366 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 67' ' ' SER . 27.8 mt -65.48 -51.35 64.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 172.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.76 -40.1 69.01 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.455 1.102 . . . . 0.0 111.539 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.39 -48.29 67.82 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.934 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.403 ' HD1' HD11 ' A' ' 39' ' ' LEU . 53.3 t80 -65.46 -30.11 70.86 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 122.827 0.451 . . . . 0.0 110.94 178.147 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -67.97 -59.65 3.11 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.89 -25.45 65.1 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.833 0.453 . . . . 0.0 111.251 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.52 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 2.8 t80 -63.36 -60.8 2.9 Favored 'General case' 0 C--O 1.255 1.381 0 C-N-CA 123.851 0.86 . . . . 0.0 110.888 174.54 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 74.8 m -67.99 -34.49 76.63 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.939 -176.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -73.64 -35.11 65.25 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.616 0.767 . . . . 0.0 110.944 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -67.25 -29.42 69.04 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 174.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.107 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.89 176.426 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 60.08 39.84 96.3 Favored Glycine 0 C--N 1.344 0.978 0 O-C-N 123.614 0.571 . . . . 0.0 113.876 174.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.8 p -87.2 92.49 9.08 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -98.96 175.19 6.02 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 121.529 0.68 . . . . 0.0 111.299 -172.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.2 m -96.76 163.61 12.92 Favored 'General case' 0 C--O 1.245 0.857 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.141 166.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.9 mm -55.83 -45.62 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.093 0.957 . . . . 0.0 111.329 -178.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.563 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 45.3 mt-10 -72.77 -29.79 63.59 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.11 -174.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -62.17 -46.51 88.65 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 172.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.572 ' HA ' ' HG ' ' A' ' 30' ' ' LEU . 47.4 t -57.3 -60.74 1.73 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.719 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.563 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.7 pt-20 -66.43 -43.07 86.68 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -171.577 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -76.7 -26.99 55.31 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.918 0.487 . . . . 0.0 111.543 -174.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -109.25 1.8 20.44 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 118.557 -0.735 . . . . 0.0 112.055 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 mt -59.78 111.46 1.46 Allowed 'General case' 0 N--CA 1.49 1.556 0 CA-C-N 119.172 0.896 . . . . 0.0 110.396 175.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.66 21.75 11.01 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 115.226 -0.897 . . . . 0.0 113.168 -174.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.1 p -119.01 -177.0 3.23 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 117.328 0.564 . . . . 0.0 109.948 172.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -72.4 -34.06 67.6 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.461 0.704 . . . . 0.0 110.84 172.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -75.41 -23.73 57.06 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.544 0.737 . . . . 0.0 111.66 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.572 ' HG ' ' HA ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -150.36 85.76 5.3 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 172.536 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -65.16 148.74 89.23 Favored 'Trans proline' 0 C--N 1.368 1.574 0 C-N-CA 122.124 1.883 . . . . 0.0 111.545 168.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.499 ' NZ ' ' SG ' ' A' ' 66' ' ' CYS . 49.1 mttm -61.63 -36.75 81.67 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.027 173.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -63.88 -50.92 66.87 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 124.015 0.822 . . . . 0.0 109.339 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -59.85 -35.02 73.88 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.717 1.207 . . . . 0.0 111.692 -177.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.524 HD12 ' HB3' ' A' ' 69' ' ' LEU . 3.1 tm? -64.47 -56.21 15.67 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.531 0.732 . . . . 0.0 109.739 175.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.1 mt -59.6 -36.29 64.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 C-N-CA 123.983 0.913 . . . . 0.0 111.062 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 99.5 m -63.96 -50.32 69.08 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.899 0.88 . . . . 0.0 109.869 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -56.0 -42.65 76.73 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.355 0.662 . . . . 0.0 110.598 177.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.37 -45.01 89.59 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.569 -178.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.467 ' HA ' HD21 ' A' ' 48' ' ' LEU . 9.8 pt20 -77.74 -17.39 57.62 Favored 'General case' 0 N--CA 1.484 1.225 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -81.47 -51.32 8.41 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.641 0.376 . . . . 0.0 111.168 173.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -90.42 -33.04 16.17 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.528 0.731 . . . . 0.0 112.596 -168.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.37 165.94 16.82 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 117.915 0.325 . . . . 0.0 110.963 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -77.61 155.8 31.23 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.549 0.739 . . . . 0.0 109.551 177.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.42 -32.64 68.86 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.271 0.628 . . . . 0.0 111.512 -176.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.45 -41.01 72.3 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.511 1.124 . . . . 0.0 111.991 175.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -66.48 -37.65 85.55 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.973 0.909 . . . . 0.0 110.956 -176.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.467 HD21 ' HA ' ' A' ' 40' ' ' GLN . 1.6 mm? -77.0 -32.3 57.11 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.515 0.326 . . . . 0.0 110.836 178.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -78.1 -13.22 59.95 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.805 0.442 . . . . 0.0 110.854 175.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -81.45 -49.64 10.39 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.447 1.099 . . . . 0.0 110.321 171.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -91.01 0.99 57.41 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.51 0.724 . . . . 0.0 112.318 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm 63.84 27.52 14.55 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.763 1.225 . . . . 0.0 111.524 177.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.436 ' HA ' HD13 ' A' ' 60' ' ' ILE . 22.1 mt -85.92 1.43 50.03 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.024 172.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.4 t -65.87 -21.1 66.44 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.65 1.18 . . . . 0.0 112.408 176.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.59 -171.17 29.81 Favored Glycine 0 C--N 1.349 1.292 0 CA-C-N 116.499 -0.319 . . . . 0.0 113.34 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.0 t -74.68 133.55 42.08 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.557 ' HA ' HD12 ' A' ' 60' ' ' ILE . 39.4 t-20 -57.44 -34.15 68.65 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.081 0.952 . . . . 0.0 111.745 -170.057 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -54.81 -54.92 35.9 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.869 0.868 . . . . 0.0 110.168 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.2 m -68.27 -25.85 65.37 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.863 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 57' ' ' ASN . 55.5 mt -73.05 -60.77 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 178.123 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 8.1 ptm180 -62.58 -16.36 55.94 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.301 0.641 . . . . 0.0 112.266 -178.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -87.23 -52.49 5.37 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 122.297 0.239 . . . . 0.0 111.553 173.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -77.84 -49.16 14.83 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 123.076 0.55 . . . . 0.0 110.943 -173.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.87 142.99 47.94 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 172.593 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -94.43 -178.65 4.65 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 172.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.499 ' SG ' ' NZ ' ' A' ' 32' ' ' LYS . 87.0 m -59.41 -39.82 84.66 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.942 0.497 . . . . 0.0 111.795 -177.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.9 m -54.04 -38.89 65.68 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -174.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -65.06 -40.95 95.46 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 122.768 0.427 . . . . 0.0 111.478 176.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.524 ' HB3' HD12 ' A' ' 35' ' ' LEU . 44.4 mt -74.49 -36.07 63.24 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.927 -174.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 66' ' ' CYS . 49.3 mt -64.82 -53.91 36.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 174.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.58 -35.87 77.14 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 114.499 -1.228 . . . . 0.0 111.381 -176.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.36 -44.96 81.75 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.085 0.554 . . . . 0.0 111.268 175.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -64.44 -37.59 88.06 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 122.32 0.248 . . . . 0.0 110.443 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.527 ' O ' ' HG2' ' A' ' 78' ' ' GLU . 9.4 mtpm? -62.98 -59.1 5.28 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.792 0.837 . . . . 0.0 109.409 177.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 1.4 m-20 -54.24 -33.74 59.1 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.126 0.97 . . . . 0.0 111.816 -178.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -66.89 -52.14 46.88 Favored 'General case' 0 C--O 1.256 1.418 0 C-N-CA 123.504 0.722 . . . . 0.0 110.558 176.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 71.0 m -63.37 -26.04 68.57 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.093 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 8.2 mm-40 -90.72 -27.79 18.72 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.68 0.792 . . . . 0.0 110.965 179.468 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.432 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 19.9 t60 -78.36 -16.27 57.85 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.189 0.596 . . . . 0.0 110.838 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.425 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.946 178.485 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.508 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.46 24.78 53.08 Favored Glycine 0 C--N 1.341 0.826 0 N-CA-C 114.631 0.612 . . . . 0.0 114.631 173.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.2 t -80.06 84.41 5.79 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 174.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 -95.06 -179.25 4.75 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.324 0.649 . . . . 0.0 110.43 -177.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.8 m -91.81 160.49 15.29 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 165.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 74' ' ' LYS . 45.9 mm -57.63 -43.66 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 123.497 0.498 . . . . 0.0 109.745 174.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.572 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 48.9 mt-10 -68.12 -37.05 80.7 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.13 -179.418 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -62.79 -42.97 99.94 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.4 t -58.6 -63.15 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.539 175.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.572 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.3 pt-20 -63.33 -42.08 98.94 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -169.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -75.89 -37.65 58.61 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.031 0.533 . . . . 0.0 111.333 -174.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -96.87 -0.05 48.39 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 118.789 -0.624 . . . . 0.0 112.134 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.535 HD22 ' HG2' ' A' ' 32' ' ' LYS . 6.3 mt -58.78 119.97 8.11 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 118.694 0.679 . . . . 0.0 110.95 177.169 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.11 -23.89 26.18 Favored Glycine 0 C--N 1.34 0.801 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.435 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.2 p -78.74 170.1 17.19 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -72.21 -17.01 61.95 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.95 0.5 . . . . 0.0 110.771 174.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -74.17 -36.38 64.07 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.668 0.787 . . . . 0.0 110.774 179.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -147.45 80.48 9.13 Favored Pre-proline 0 N--CA 1.475 0.794 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.449 ' HG2' ' HB2' ' A' ' 34' ' ' ASP . 39.5 Cg_endo -68.74 146.82 67.82 Favored 'Trans proline' 0 C--N 1.373 1.822 0 C-N-CA 121.791 1.661 . . . . 0.0 111.192 174.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.707 ' HD3' ' SG ' ' A' ' 66' ' ' CYS . 56.2 mtmt -56.63 -39.59 73.92 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.249 1.02 . . . . 0.0 111.128 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -55.75 -45.16 78.09 Favored 'General case' 0 CA--C 1.553 1.064 0 O-C-N 124.191 0.932 . . . . 0.0 110.876 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.449 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 0.3 OUTLIER -64.98 -37.85 89.01 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 123.666 0.786 . . . . 0.0 111.523 -178.775 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.541 HD23 ' HB3' ' A' ' 69' ' ' LEU . 54.8 tp -60.97 -56.21 23.81 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.258 0.552 . . . . 0.0 109.926 177.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.3 mt -54.3 -40.04 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 114.558 -1.201 . . . . 0.0 111.165 178.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.6 m -58.88 -49.96 75.82 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 124.083 0.865 . . . . 0.0 110.685 176.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.454 ' HD2' HD12 ' A' ' 39' ' ' LEU . 66.9 t80 -56.12 -48.1 76.84 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 123.684 0.615 . . . . 0.0 110.414 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.454 HD12 ' HD2' ' A' ' 38' ' ' TYR . 10.7 mp -63.96 -43.34 96.07 Favored 'General case' 0 C--O 1.207 -1.142 0 O-C-N 123.852 0.72 . . . . 0.0 111.704 -176.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.407 ' HA ' HD21 ' A' ' 48' ' ' LEU . 9.6 pt20 -75.96 -19.03 59.07 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 121.55 -0.719 . . . . 0.0 112.218 -178.528 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -79.12 -49.29 12.84 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 123.125 0.266 . . . . 0.0 111.134 172.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -84.78 -45.27 12.53 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.335 0.254 . . . . 0.0 110.818 -171.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.422 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . . . -77.93 152.11 33.38 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.733 0.413 . . . . 0.0 111.19 178.676 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -75.71 156.8 34.34 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 124.121 0.969 . . . . 0.0 109.203 174.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.16 -31.66 32.32 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.9 0.88 . . . . 0.0 113.229 -169.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.12 79.39 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.549 1.14 . . . . 0.0 112.335 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.409 ' HE2' HD23 ' A' ' 39' ' ' LEU . 59.1 t80 -63.45 -40.65 97.71 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.467 -177.154 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.483 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.7 mm? -75.68 -29.9 59.19 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.616 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 -76.38 -14.76 60.06 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.746 0.419 . . . . 0.0 110.895 174.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -78.34 -58.54 3.2 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.241 0.616 . . . . 0.0 109.504 169.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -86.16 4.97 36.14 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.337 0.655 . . . . 0.0 112.709 -173.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.28 22.98 5.22 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 125.053 1.341 . . . . 0.0 112.087 175.166 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.489 ' HA ' HD13 ' A' ' 60' ' ' ILE . 18.2 mt -90.97 7.46 40.15 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.834 0.853 . . . . 0.0 111.462 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -82.9 -16.42 47.59 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -173.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.32 -146.4 7.58 Favored Glycine 0 N--CA 1.479 1.522 0 CA-C-O 120.176 -0.235 . . . . 0.0 112.817 -175.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.9 t -80.29 126.44 31.14 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 173.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.467 ' HA ' HD12 ' A' ' 60' ' ' ILE . 32.3 t-20 -58.71 -27.05 64.51 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.876 0.87 . . . . 0.0 111.857 -171.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -61.32 -52.58 64.08 Favored 'General case' 0 C--O 1.249 1.069 0 C-N-CA 123.843 0.857 . . . . 0.0 111.627 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -67.33 -26.24 66.4 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.43 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.489 HD13 ' HA ' ' A' ' 53' ' ' LEU . 45.9 mt -78.64 -52.74 15.02 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.943 0 C-N-CA 122.635 0.374 . . . . 0.0 110.631 -178.079 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -58.68 -34.45 71.29 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.591 -0.693 . . . . 0.0 111.198 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -78.19 -55.09 5.54 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.797 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -90.82 -33.43 15.69 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.281 0.632 . . . . 0.0 112.535 -167.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -78.21 119.57 21.78 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -60.11 146.6 42.53 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 123.812 0.695 . . . . 0.0 111.271 -174.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.707 ' SG ' ' HD3' ' A' ' 32' ' ' LYS . 20.6 m -54.83 -42.01 71.4 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 123.863 0.727 . . . . 0.0 110.197 177.311 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.476 ' HA ' HD12 ' A' ' 70' ' ' ILE . 17.0 m -55.87 -40.33 72.77 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.38 1.072 . . . . 0.0 111.941 176.059 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -68.83 -36.82 78.67 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.528 0.731 . . . . 0.0 110.5 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.541 ' HB3' HD23 ' A' ' 35' ' ' LEU . 72.0 mt -70.09 -39.71 75.39 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.859 0.864 . . . . 0.0 111.197 -179.449 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 67' ' ' SER . 28.2 mt -58.27 -51.8 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 172.101 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.23 -35.88 67.85 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 124.42 1.075 . . . . 0.0 111.448 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.34 -54.26 26.61 Favored 'General case' 0 CA--C 1.552 1.05 0 O-C-N 123.631 0.582 . . . . 0.0 111.341 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.43 ' HB2' HD11 ' A' ' 35' ' ' LEU . 77.1 t80 -62.37 -35.61 79.71 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 123.511 0.724 . . . . 0.0 111.148 178.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.496 ' HA ' HD12 ' A' ' 18' ' ' ILE . 33.4 ttmt -67.61 -50.12 59.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.688 -1.142 . . . . 0.0 108.496 -174.422 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.87 -31.37 72.52 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.021 -1.445 . . . . 0.0 111.242 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 7.3 t80 -64.1 -51.58 63.33 Favored 'General case' 0 C--O 1.252 1.222 0 C-N-CA 124.155 0.982 . . . . 0.0 110.89 178.542 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 69.5 m -65.99 -41.62 90.86 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.88 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -66.87 -30.34 70.49 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.395 0.678 . . . . 0.0 110.947 176.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -69.17 -30.95 69.28 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.617 0.767 . . . . 0.0 110.375 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 1.021 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.715 177.662 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.6 ptm . . . . . 0 N--CA 1.472 0.652 0 CA-C-O 120.585 0.231 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.96 20.82 79.09 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 115.532 0.973 . . . . 0.0 115.532 167.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.9 m -82.69 81.06 8.61 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 175.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.488 ' CE2' HD21 ' A' ' 30' ' ' LEU . 2.7 m-90 -100.18 170.9 8.14 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.208 0.603 . . . . 0.0 110.597 -178.656 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.7 m -82.34 156.19 24.37 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.1 164.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.597 HD12 ' HG2' ' A' ' 74' ' ' LYS . 45.6 mm -54.37 -40.4 48.42 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 C-N-CA 123.854 0.862 . . . . 0.0 110.885 177.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.61 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 38.2 mt-10 -70.66 -37.7 73.73 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.685 -178.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -61.6 -42.68 99.21 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-N 118.36 0.527 . . . . 0.0 109.632 176.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.8 t -56.31 -62.99 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.237 175.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.61 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 13.1 pt-20 -65.41 -35.89 82.29 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -169.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -78.46 -41.99 31.12 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.324 0.39 . . . . 0.0 110.842 -176.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -93.38 -6.84 46.28 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -175.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 25' ' ' LEU . 7.0 mt -62.91 115.99 4.88 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 118.909 0.777 . . . . 0.0 110.8 178.282 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 119.8 -16.14 10.33 Favored Glycine 0 C--N 1.344 0.978 0 CA-C-N 115.255 -0.884 . . . . 0.0 112.301 -178.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.3 p -94.01 -178.51 4.67 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.383 0.673 . . . . 0.0 110.53 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.95 -26.44 54.02 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.957 0.503 . . . . 0.0 110.399 170.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -66.44 -40.05 89.26 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.43 0.692 . . . . 0.0 111.068 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.488 HD21 ' CE2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -139.89 88.16 12.2 Favored Pre-proline 0 N--CA 1.472 0.654 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 172.695 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.572 ' HG2' ' HB2' ' A' ' 34' ' ' ASP . 35.5 Cg_endo -67.56 143.63 63.47 Favored 'Trans proline' 0 C--N 1.368 1.58 0 C-N-CA 121.917 1.745 . . . . 0.0 111.161 173.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -58.6 -32.11 68.67 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.236 1.015 . . . . 0.0 110.478 174.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -54.43 -53.88 48.25 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.104 173.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.572 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 8.9 t70 -68.67 -28.78 67.18 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.437 0.695 . . . . 0.0 111.568 -172.591 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 39' ' ' LEU . 2.7 tm? -62.28 -57.44 11.37 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 173.563 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.426 HG23 ' HB3' ' A' ' 53' ' ' LEU . 65.5 mt -60.63 -34.45 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.437 -179.107 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.0 m -61.63 -47.52 85.02 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.283 1.033 . . . . 0.0 110.33 176.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.541 ' HD1' HD12 ' A' ' 39' ' ' LEU . 62.3 t80 -54.5 -49.52 69.96 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 176.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.541 HD12 ' HD1' ' A' ' 38' ' ' TYR . 11.1 mp -65.32 -40.0 93.16 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.883 -174.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.406 ' HA ' HD21 ' A' ' 48' ' ' LEU . 7.5 pt20 -78.24 -18.23 55.64 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.329 -0.857 . . . . 0.0 112.051 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -78.38 -52.66 8.25 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.624 0.37 . . . . 0.0 111.495 173.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -93.2 -36.26 12.71 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -168.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 39' ' ' LEU . . . -84.11 154.03 23.4 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 177.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.09 155.78 39.91 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.742 0.817 . . . . 0.0 109.396 175.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.457 ' HA ' HD23 ' A' ' 48' ' ' LEU . . . -57.04 -28.04 62.19 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.579 0.752 . . . . 0.0 112.206 -171.244 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.12 -42.89 77.56 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.145 0.978 . . . . 0.0 112.141 177.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -65.14 -38.17 89.77 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.537 0.735 . . . . 0.0 110.407 -177.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.544 HD12 ' HB2' ' A' ' 53' ' ' LEU . 2.2 mm? -72.92 -31.96 64.99 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.248 178.165 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -71.57 -24.17 61.87 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.082 0.553 . . . . 0.0 111.016 174.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -75.68 -49.92 16.91 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.097 0.559 . . . . 0.0 110.748 176.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -94.21 9.23 38.79 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -174.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.412 ' HG3' ' NH2' ' A' ' 64' ' ' ARG . 11.6 mmpt? 68.28 20.49 8.74 Favored 'General case' 0 N--CA 1.497 1.922 0 C-N-CA 124.963 1.305 . . . . 0.0 111.834 176.502 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.616 ' HA ' HD13 ' A' ' 60' ' ' ILE . 21.5 mt -89.08 0.69 56.49 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 123.904 0.882 . . . . 0.0 111.596 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.8 t -75.13 -12.88 60.4 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 123.933 0.893 . . . . 0.0 113.005 -178.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -86.66 -151.55 19.56 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-O 120.212 -0.215 . . . . 0.0 113.174 -177.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.2 t -80.31 122.4 26.86 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.019 0.527 . . . . 0.0 110.032 175.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.464 ' HA ' HD12 ' A' ' 60' ' ' ILE . 37.3 t-20 -55.72 -30.38 61.08 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 124.292 1.037 . . . . 0.0 112.091 -170.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.07 -54.22 47.35 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.669 0.788 . . . . 0.0 111.373 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.0 m -65.74 -34.3 77.87 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.107 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.616 HD13 ' HA ' ' A' ' 53' ' ' LEU . 59.6 mt -67.21 -52.17 45.68 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.209 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.826 -178.616 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -67.88 -21.66 65.15 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 118.371 0.532 . . . . 0.0 111.1 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -67.85 -51.53 47.29 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.39 0.676 . . . . 0.0 111.722 173.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -82.62 -52.67 6.59 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 121.54 0.686 . . . . 0.0 110.81 -178.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.53 ' HD2' ' HG2' ' A' ' 68' ' ' GLN . 20.2 mmt180 -87.41 96.25 10.3 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.058 178.372 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -89.96 -163.14 0.96 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.197 0.599 . . . . 0.0 109.799 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.469 ' O ' HG13 ' A' ' 70' ' ' ILE . 20.8 p -45.92 -59.32 2.89 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.208 1.003 . . . . 0.0 113.592 -170.231 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.525 ' HA ' HD12 ' A' ' 70' ' ' ILE . 11.0 m -51.32 -44.43 61.96 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 124.266 1.026 . . . . 0.0 113.1 -172.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.53 ' HG2' ' HD2' ' A' ' 64' ' ' ARG . 23.5 tp60 -64.46 -43.35 94.51 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.556 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.425 ' HB3' HD12 ' A' ' 35' ' ' LEU . 80.5 mt -75.31 -28.9 59.87 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.714 -174.134 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 67' ' ' SER . 19.2 mt -68.91 -46.14 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 173.214 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.38 -36.85 76.55 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.863 0.865 . . . . 0.0 111.793 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.56 -47.45 48.02 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.411 0.684 . . . . 0.0 111.519 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -61.44 -45.33 94.74 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.627 0.771 . . . . 0.0 110.234 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.597 ' HG2' HD12 ' A' ' 18' ' ' ILE . 58.0 mtmt -60.28 -51.37 69.85 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.792 175.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -51.47 -40.95 60.5 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.382 0.673 . . . . 0.0 111.551 -175.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -67.97 -55.1 13.95 Favored 'General case' 0 C--O 1.261 1.664 0 CA-C-O 121.63 0.728 . . . . 0.0 110.081 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 41.8 t -58.4 -31.44 67.69 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 114.52 -1.218 . . . . 0.0 112.274 -177.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 18.4 mm-40 -91.69 -29.47 16.83 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.155 0.982 . . . . 0.0 110.807 -177.513 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.67 -22.27 66.62 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 123.1 0.56 . . . . 0.0 110.811 176.219 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 1.068 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 178.287 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.495 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.21 16.3 80.67 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 115.073 0.789 . . . . 0.0 115.073 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.0 t -86.75 78.73 9.04 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 177.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -90.38 177.62 6.34 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.929 0.892 . . . . 0.0 111.391 -173.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.3 m -83.24 154.87 23.97 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.042 165.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 43.9 mm -58.79 -43.19 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 123.175 0.59 . . . . 0.0 110.79 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.572 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 40.7 mt-10 -69.83 -32.6 71.1 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.64 -179.366 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -64.97 -42.72 94.31 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 175.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.0 t -56.47 -63.11 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.209 175.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.572 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.1 pt-20 -62.82 -43.94 97.48 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -170.06 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -74.9 -32.9 61.95 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 122.733 0.413 . . . . 0.0 111.166 -174.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -96.49 -6.13 37.91 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 118.506 -0.759 . . . . 0.0 112.411 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.433 HD22 ' HG2' ' A' ' 32' ' ' LYS . 11.2 mt -61.51 113.89 2.93 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 119.252 0.933 . . . . 0.0 111.527 177.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.98 -15.6 25.88 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.919 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.4 p -79.41 172.5 13.71 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 117.181 0.491 . . . . 0.0 110.672 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -68.2 -29.58 68.47 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.026 171.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -71.24 -33.96 70.33 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.824 0.85 . . . . 0.0 111.922 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.11 81.95 7.95 Favored Pre-proline 0 N--CA 1.476 0.83 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 178.524 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.441 ' HG2' ' HB2' ' A' ' 34' ' ' ASP . 29.5 Cg_endo -64.32 151.6 84.78 Favored 'Trans proline' 0 C--N 1.367 1.53 0 C-N-CA 122.207 1.938 . . . . 0.0 111.358 171.336 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.433 ' HG2' HD22 ' A' ' 25' ' ' LEU . 54.4 mtmt -60.14 -36.12 76.81 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.305 0.642 . . . . 0.0 111.039 176.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -49.78 -43.19 48.1 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.12 0.968 . . . . 0.0 111.397 174.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.441 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 31.7 t70 -73.27 -34.92 66.06 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.362 1.065 . . . . 0.0 111.993 -172.228 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.563 ' HB3' HD23 ' A' ' 69' ' ' LEU . 2.8 tm? -64.31 -48.59 75.04 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 174.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.531 HG23 ' HB3' ' A' ' 53' ' ' LEU . 81.3 mt -57.8 -39.82 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.711 177.388 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.8 m -62.67 -46.9 86.04 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.864 0.865 . . . . 0.0 111.158 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -58.08 -46.33 85.64 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.3 mp -62.64 -44.2 96.87 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.376 -177.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.448 ' HA ' HD21 ' A' ' 48' ' ' LEU . 9.8 pt20 -73.94 -18.8 60.84 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -178.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -79.91 -55.04 5.26 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 122.425 0.29 . . . . 0.0 111.302 173.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -85.85 -20.42 29.14 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -168.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.51 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . . . -92.85 173.77 7.58 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.545 0.688 . . . . 0.0 112.114 174.407 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.88 157.13 18.54 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 114.031 -1.441 . . . . 0.0 108.366 167.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.61 -28.2 44.9 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.884 0.874 . . . . 0.0 112.976 -173.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.82 -41.25 77.49 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.425 1.09 . . . . 0.0 112.612 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -65.24 -36.93 85.65 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.669 0.788 . . . . 0.0 110.794 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.462 HD12 ' HB2' ' A' ' 53' ' ' LEU . 2.1 mm? -79.83 -30.24 40.35 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.649 -177.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -69.3 -30.94 69.12 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 172.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -66.78 -56.94 8.21 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.907 0.883 . . . . 0.0 110.846 177.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -85.16 4.09 36.04 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.153 0.581 . . . . 0.0 112.112 -177.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 69.38 23.12 6.25 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 125.133 1.373 . . . . 0.0 111.755 175.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.531 ' HB3' HG23 ' A' ' 36' ' ' ILE . 22.0 mt -86.92 9.74 18.41 Favored 'General case' 0 CA--C 1.564 1.501 0 C-N-CA 124.683 1.193 . . . . 0.0 111.693 177.254 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -79.4 -4.85 52.99 Favored 'General case' 0 CA--C 1.565 1.524 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -92.33 -140.97 9.88 Favored Glycine 0 N--CA 1.487 2.091 0 CA-C-O 120.072 -0.293 . . . . 0.0 113.554 -176.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.5 t -95.97 125.75 40.74 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 170.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.489 ' HA ' HD12 ' A' ' 60' ' ' ILE . 4.7 m-20 -51.85 -25.19 7.32 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 124.449 1.1 . . . . 0.0 113.691 -171.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 61' ' ' ARG . 14.2 tmtt? -66.8 -56.09 11.97 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.831 0.852 . . . . 0.0 110.62 177.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.9 m -72.88 -27.61 62.01 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.826 -177.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.521 HD13 ' HA ' ' A' ' 53' ' ' LEU . 70.1 mt -64.66 -59.51 4.08 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.127 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 173.727 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 15.2 ptt180 -59.88 -25.78 65.35 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 122.884 0.474 . . . . 0.0 111.108 -175.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.06 -53.63 35.88 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 122.841 0.456 . . . . 0.0 110.119 171.295 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -85.13 1.43 47.95 Favored 'General case' 0 N--CA 1.499 1.977 0 C-N-CA 123.391 0.676 . . . . 0.0 112.321 -178.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.56 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -132.48 97.27 4.04 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -176.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -69.03 171.91 7.48 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.397 0.679 . . . . 0.0 110.947 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.511 ' O ' HG13 ' A' ' 70' ' ' ILE . 24.1 p -52.82 -43.65 66.12 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.77 179.286 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.425 ' HA ' HD12 ' A' ' 70' ' ' ILE . 46.1 m -47.33 -51.78 18.4 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.659 1.184 . . . . 0.0 112.638 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -60.56 -44.29 96.31 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.605 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.563 HD23 ' HB3' ' A' ' 35' ' ' LEU . 11.1 mp -69.7 -32.37 70.92 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.787 0.835 . . . . 0.0 112.889 -178.322 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 66' ' ' CYS . 30.1 mt -66.41 -53.63 34.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 177.294 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.04 -32.94 71.38 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 124.424 1.077 . . . . 0.0 111.683 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.49 -50.02 64.64 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.261 0.625 . . . . 0.0 111.679 176.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -68.35 -32.62 72.85 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.637 0.775 . . . . 0.0 110.611 -178.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -65.4 -59.74 3.7 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.57 -26.79 56.18 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 124.119 0.968 . . . . 0.0 112.081 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.51 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 4.5 t80 -68.57 -58.53 4.15 Favored 'General case' 0 C--O 1.252 1.187 0 C-N-CA 124.028 0.931 . . . . 0.0 110.58 177.449 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 35.1 t -70.02 -25.5 63.6 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.492 -176.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -86.4 -25.11 25.46 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.015 0.926 . . . . 0.0 110.851 178.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -67.56 -27.79 67.24 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 168.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.175 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 178.712 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.4 ptm . . . . . 0 N--CA 1.468 0.466 0 CA-C-O 121.225 0.536 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.498 ' HA2' ' CZ2' ' A' ' 16' ' ' TRP . . . 78.51 17.09 78.34 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 114.446 -1.252 . . . . 0.0 115.867 166.28 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.2 m -90.13 80.2 6.34 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 117.505 0.652 . . . . 0.0 109.571 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.498 ' CZ2' ' HA2' ' A' ' 14' ' ' GLY . 2.9 m-90 -100.25 173.71 6.48 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.009 0.924 . . . . 0.0 109.61 178.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.6 m -82.65 159.66 22.62 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 168.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.534 HD12 ' HG2' ' A' ' 74' ' ' LYS . 49.3 mm -60.69 -47.9 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 123.073 0.549 . . . . 0.0 111.156 -176.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.633 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 48.7 mt-10 -68.8 -30.61 69.22 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.439 -177.22 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -62.53 -44.94 95.13 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 174.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.7 t -59.42 -62.16 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.829 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.633 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 13.5 pt-20 -63.79 -35.12 79.57 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 112.7 0.629 . . . . 0.0 112.7 -169.113 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -77.97 -45.44 23.88 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 122.437 0.295 . . . . 0.0 111.042 -178.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -84.43 -8.53 58.94 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.47 -175.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mt -63.71 119.27 9.6 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 118.178 0.445 . . . . 0.0 109.973 174.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.86 -21.65 11.09 Favored Glycine 0 C--N 1.338 0.655 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.501 -177.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.7 p -84.56 -176.74 6.37 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 171.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -96.69 -8.29 31.83 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 109.965 -0.384 . . . . 0.0 109.965 171.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -68.95 -46.3 68.55 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.37 82.88 62.1 Favored Pre-proline 0 N--CA 1.477 0.88 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 168.37 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.68 148.38 46.91 Favored 'Trans proline' 0 C--N 1.368 1.571 0 C-N-CA 121.609 1.539 . . . . 0.0 110.732 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -56.06 -40.26 73.28 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.59 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -57.19 -43.34 82.62 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.005 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.424 ' HA ' ' HB ' ' A' ' 37' ' ' THR . 26.2 t70 -78.65 -24.55 45.13 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -173.321 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.83 -51.0 53.52 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 173.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.9 mt -59.4 -39.01 78.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.235 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.424 ' HB ' ' HA ' ' A' ' 34' ' ' ASP . 16.2 m -58.63 -46.69 86.54 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 124.424 1.077 . . . . 0.0 110.684 175.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -55.3 -48.59 73.87 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 123.401 0.438 . . . . 0.0 110.172 176.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.8 mt -64.09 -40.17 95.64 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.669 -174.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.517 ' HA ' HD21 ' A' ' 48' ' ' LEU . 9.5 pt20 -81.36 -18.56 45.19 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -178.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -78.75 -55.43 5.18 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 120.899 0.381 . . . . 0.0 110.821 172.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -89.2 -18.65 26.69 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -165.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.49 175.24 5.54 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 118.565 0.621 . . . . 0.0 112.003 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -81.84 161.04 23.34 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.924 0.889 . . . . 0.0 110.212 175.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.29 -33.69 67.92 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.361 0.665 . . . . 0.0 110.717 177.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.86 -41.58 70.99 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.504 1.122 . . . . 0.0 112.071 177.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -66.93 -38.98 87.2 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.855 0.862 . . . . 0.0 110.592 -176.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.517 HD21 ' HA ' ' A' ' 40' ' ' GLN . 1.9 mm? -70.38 -45.02 66.84 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.107 178.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -60.31 -31.11 69.96 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.112 0.565 . . . . 0.0 110.973 176.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -69.3 -46.84 66.19 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.242 1.017 . . . . 0.0 110.718 177.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -96.59 13.11 29.29 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.168 0.587 . . . . 0.0 112.339 -178.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt 63.8 21.91 12.85 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 124.519 1.128 . . . . 0.0 112.424 175.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.495 ' HB2' HD12 ' A' ' 48' ' ' LEU . 13.4 mt -91.31 16.89 9.17 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 124.646 1.178 . . . . 0.0 111.378 178.154 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.3 t -81.71 -16.58 50.76 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.133 0.573 . . . . 0.0 112.438 -176.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.83 -168.58 39.59 Favored Glycine 0 N--CA 1.483 1.768 0 CA-C-O 119.823 -0.432 . . . . 0.0 112.558 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.2 t -71.59 136.28 47.34 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 117.685 0.742 . . . . 0.0 110.131 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.586 ' HA ' HD12 ' A' ' 60' ' ' ILE . 35.9 t-20 -59.03 -28.03 66.04 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.39 1.076 . . . . 0.0 112.042 -169.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -65.59 -48.53 72.0 Favored 'General case' 0 C--O 1.252 1.232 0 C-N-CA 123.621 0.768 . . . . 0.0 110.744 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.5 t -64.71 -37.81 88.85 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.176 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.586 HD12 ' HA ' ' A' ' 57' ' ' ASN . 56.8 mt -65.05 -50.94 72.08 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 C-N-CA 122.926 0.491 . . . . 0.0 110.568 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -65.13 -21.73 66.83 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.519 0.328 . . . . 0.0 110.97 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.19 -59.47 2.69 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 170.404 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -76.09 -44.3 39.43 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.043 0.449 . . . . 0.0 111.027 -169.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.62 124.28 28.0 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.753 0.821 . . . . 0.0 109.089 172.039 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -86.94 -179.05 6.44 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.224 174.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.452 ' O ' HG13 ' A' ' 70' ' ' ILE . 26.1 p -52.13 -43.51 64.04 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.797 0.839 . . . . 0.0 110.944 178.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.6 m -49.86 -46.38 51.38 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.92 1.288 . . . . 0.0 113.025 -176.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -65.62 -40.26 92.38 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.278 0.631 . . . . 0.0 111.071 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.2 mp -70.61 -37.79 73.9 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.739 -1.118 . . . . 0.0 111.394 -177.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.552 HG22 ' HE2' ' A' ' 74' ' ' LYS . 47.2 mt -66.89 -47.57 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.87 90.21 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.716 0.806 . . . . 0.0 111.439 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.58 -44.22 71.24 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.508 0.723 . . . . 0.0 112.262 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -67.8 -45.07 75.81 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 122.75 0.42 . . . . 0.0 110.102 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.552 ' HE2' HG22 ' A' ' 70' ' ' ILE . 55.0 mtmt -59.52 -46.7 88.09 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.982 175.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.566 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 35.7 t70 -53.75 -49.58 67.88 Favored 'General case' 0 C--O 1.195 -1.814 0 O-C-N 124.267 0.979 . . . . 0.0 109.805 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -63.62 -48.99 75.05 Favored 'General case' 0 C--O 1.251 1.162 0 C-N-CA 124.969 1.308 . . . . 0.0 111.715 -175.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 71.2 m -58.27 -40.74 82.68 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.282 0.633 . . . . 0.0 111.057 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -82.98 -22.72 33.6 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.113 0.965 . . . . 0.0 111.485 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.566 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 0.6 OUTLIER -73.73 -25.13 60.05 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 124.633 1.173 . . . . 0.0 110.239 -178.036 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.132 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.546 -172.742 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.26 35.3 53.15 Favored Glycine 0 C--N 1.338 0.674 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.523 -176.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.8 p -95.17 89.34 5.49 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -96.96 176.2 6.05 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.338 0.655 . . . . 0.0 110.363 -174.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.7 m -85.75 157.51 20.25 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.58 0.752 . . . . 0.0 109.143 170.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.562 HD12 ' HG2' ' A' ' 74' ' ' LYS . 46.8 mm -61.22 -49.45 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 123.049 0.54 . . . . 0.0 110.593 -178.469 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.623 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 50.4 mt-10 -72.37 -24.16 61.23 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.95 -178.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -63.13 -51.6 65.83 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 170.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.3 t -55.58 -58.45 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.692 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.623 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.8 pt-20 -64.43 -44.04 92.41 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -173.07 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -77.59 -22.91 50.17 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.896 0.478 . . . . 0.0 112.069 -174.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -102.5 -7.78 21.61 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 118.849 -0.596 . . . . 0.0 111.519 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.3 mt -59.34 113.4 2.15 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 118.71 0.686 . . . . 0.0 111.254 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.52 -2.08 21.92 Favored Glycine 0 C--N 1.343 0.924 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.957 -178.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.8 p -102.17 -173.52 2.36 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 117.606 0.703 . . . . 0.0 110.547 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -79.77 -27.12 40.47 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.669 0.788 . . . . 0.0 110.246 171.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -74.29 -32.89 63.07 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.674 0.789 . . . . 0.0 111.509 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -151.41 83.71 5.37 Favored Pre-proline 0 N--CA 1.474 0.729 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 173.877 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.98 156.64 38.72 Favored 'Trans proline' 0 CA--C 1.547 1.159 0 C-N-CA 122.081 1.854 . . . . 0.0 111.59 172.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -56.19 -44.99 79.97 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.833 0.853 . . . . 0.0 111.465 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -61.0 -41.64 96.91 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.492 0.717 . . . . 0.0 111.689 -176.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -63.46 -40.65 97.7 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.559 0.744 . . . . 0.0 111.327 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.465 HD11 ' HB2' ' A' ' 73' ' ' TYR . 57.8 tp -60.48 -55.76 29.55 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.388 175.436 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.471 HG22 ' NE2' ' A' ' 40' ' ' GLN . 66.5 mt -51.91 -39.24 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 124.511 1.124 . . . . 0.0 111.243 177.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.5 m -63.07 -48.34 79.07 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.091 0.956 . . . . 0.0 111.313 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -56.83 -43.9 81.53 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 176.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.439 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 9.3 mp -64.67 -38.94 92.7 Favored 'General case' 0 C--O 1.212 -0.875 0 C-N-CA 123.18 0.592 . . . . 0.0 111.508 -176.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.471 ' NE2' HG22 ' A' ' 36' ' ' ILE . 1.1 pt20 -83.55 -19.09 36.26 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.885 -0.509 . . . . 0.0 112.133 -179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -81.12 -44.14 18.37 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 120.566 0.222 . . . . 0.0 110.8 174.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -91.11 -40.79 11.4 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.902 0.481 . . . . 0.0 111.884 -172.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 39' ' ' LEU . . . -86.48 156.8 19.97 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 121.02 0.438 . . . . 0.0 111.291 179.099 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -80.23 162.59 24.56 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.768 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.63 -37.94 43.3 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 124.255 1.022 . . . . 0.0 112.729 -174.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.2 -42.71 77.62 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.282 1.033 . . . . 0.0 112.439 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -64.33 -43.45 94.62 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.291 -176.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.461 HD21 ' HA ' ' A' ' 40' ' ' GLN . 1.5 mm? -69.43 -36.51 76.73 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.424 179.16 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -67.4 -28.14 67.67 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.472 0.309 . . . . 0.0 111.418 176.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -73.96 -56.26 5.16 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.547 0.739 . . . . 0.0 110.07 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -86.13 11.83 10.98 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.344 0.658 . . . . 0.0 112.428 -175.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.43 ' HE3' ' HA ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER 70.91 19.97 5.55 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 125.121 1.368 . . . . 0.0 111.97 171.343 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.4 mt -90.74 4.18 52.29 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.283 1.033 . . . . 0.0 111.743 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -72.46 -14.59 61.72 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -177.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -81.63 -171.04 45.05 Favored Glycine 0 C--N 1.347 1.19 0 N-CA-C 112.405 -0.278 . . . . 0.0 112.405 175.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.6 t -74.45 138.3 43.17 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 177.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.516 ' HA ' HD12 ' A' ' 60' ' ' ILE . 4.1 m-20 -57.18 -26.01 59.92 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.156 0.982 . . . . 0.0 112.935 -175.08 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -56.82 -55.0 40.01 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.91 0.884 . . . . 0.0 110.017 175.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.0 m -65.36 -39.18 92.01 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.409 -1.269 . . . . 0.0 111.237 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 57' ' ' ASN . 31.3 mt -66.69 -53.06 38.73 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 123.165 0.291 . . . . 0.0 111.111 -175.472 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 9.2 ptm180 -64.61 -40.39 95.41 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.3 0.24 . . . . 0.0 110.774 -178.035 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -74.12 -43.62 56.84 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 122.515 0.326 . . . . 0.0 111.088 -173.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -82.26 -53.74 5.81 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -176.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.441 HH11 ' HA ' ' A' ' 60' ' ' ILE . 2.9 mpt_? -80.59 126.85 31.77 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.881 -173.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -73.21 178.32 4.53 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.229 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.424 ' O ' HG13 ' A' ' 70' ' ' ILE . 26.6 p -60.93 -44.12 97.67 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 122.809 0.444 . . . . 0.0 112.002 -174.316 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.504 ' HA ' HD12 ' A' ' 70' ' ' ILE . 50.1 m -54.67 -37.62 65.96 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -173.581 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -58.97 -46.01 89.13 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.858 0.837 . . . . 0.0 110.519 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.453 ' HB3' HD23 ' A' ' 35' ' ' LEU . 41.2 mt -78.13 -33.43 50.45 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 114.186 -1.37 . . . . 0.0 111.064 -172.527 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 67' ' ' SER . 43.1 mt -63.21 -50.43 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 173.197 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.88 -38.6 76.05 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.159 0.984 . . . . 0.0 111.19 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.3 -48.52 67.4 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.051 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.465 ' HB2' HD11 ' A' ' 35' ' ' LEU . 85.5 t80 -63.25 -44.66 94.54 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 122.9 0.48 . . . . 0.0 110.826 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.562 ' HG2' HD12 ' A' ' 18' ' ' ILE . 53.8 mtmt -57.74 -54.01 51.72 Favored 'General case' 0 C--O 1.208 -1.12 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.544 177.369 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 30.8 t70 -54.29 -45.09 72.45 Favored 'General case' 0 C--O 1.205 -1.274 0 O-C-N 124.213 0.946 . . . . 0.0 111.373 -176.114 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.64 -51.33 70.37 Favored 'General case' 0 C--O 1.253 1.245 0 C-N-CA 124.337 1.055 . . . . 0.0 110.689 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 48.2 t -61.28 -44.02 97.91 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 114.136 -1.393 . . . . 0.0 110.94 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -75.06 -24.24 58.2 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 125.411 1.485 . . . . 0.0 110.869 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.436 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 60.0 t60 -75.78 -19.38 59.04 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.301 1.041 . . . . 0.0 108.971 176.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 1.31 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 171.2 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.8 ptt? . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 110.64 -0.133 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.24 23.03 46.08 Favored Glycine 0 C--N 1.346 1.116 0 N-CA-C 116.084 1.193 . . . . 0.0 116.084 164.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.2 m -88.23 90.96 8.6 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 177.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -102.41 173.04 6.53 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.777 0.831 . . . . 0.0 110.22 -176.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.2 m -86.72 164.92 16.46 Favored 'General case' 0 C--O 1.247 0.928 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 162.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.4 mm -59.47 -40.55 82.08 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 122.992 0.517 . . . . 0.0 110.557 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.524 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 46.4 mt-10 -61.11 -41.69 97.15 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.803 0.841 . . . . 0.0 112.777 -177.067 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -61.58 -41.44 97.4 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 118.407 0.549 . . . . 0.0 110.366 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.68 -60.95 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.993 177.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.524 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 10.7 pt-20 -65.93 -27.36 68.12 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -170.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -89.65 -38.02 14.21 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 122.329 0.252 . . . . 0.0 111.506 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -102.04 2.34 37.56 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.593 0.357 . . . . 0.0 111.784 -173.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.543 HD22 ' HG2' ' A' ' 32' ' ' LYS . 2.3 mt -65.03 120.53 12.8 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 120.805 0.336 . . . . 0.0 111.205 178.416 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.89 -21.12 16.49 Favored Glycine 0 C--N 1.339 0.719 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.849 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.0 p -89.86 -179.73 5.79 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.235 0.614 . . . . 0.0 109.816 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -80.14 -17.08 53.47 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.729 0.412 . . . . 0.0 110.408 173.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -71.3 -33.21 69.5 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.984 0.914 . . . . 0.0 110.47 177.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -151.32 85.99 4.86 Favored Pre-proline 0 N--CA 1.476 0.85 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 172.154 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.4 150.11 87.37 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 122.352 2.035 . . . . 0.0 112.071 173.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.543 ' HG2' HD22 ' A' ' 25' ' ' LEU . 55.8 mtmt -60.46 -37.84 82.3 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.294 172.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -65.99 -46.34 78.36 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.505 0.722 . . . . 0.0 109.871 -176.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.37 -40.29 93.76 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.422 1.089 . . . . 0.0 111.123 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.487 HD23 ' HB3' ' A' ' 69' ' ' LEU . 53.9 tp -62.46 -52.94 61.55 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.996 176.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.5 mt -55.11 -37.91 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 124.185 0.994 . . . . 0.0 111.294 176.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 86.9 m -66.57 -47.81 71.61 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.488 0.715 . . . . 0.0 110.303 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -56.98 -42.7 80.69 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.031 0.532 . . . . 0.0 110.299 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.56 -47.69 82.73 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.074 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.418 ' HA ' HD21 ' A' ' 48' ' ' LEU . 10.1 pt20 -74.03 -18.42 60.84 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -84.19 -40.45 18.13 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 175.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -96.23 -20.35 18.63 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -172.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.547 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . . . -90.07 170.47 10.3 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.779 0.8 . . . . 0.0 112.366 174.3 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -86.54 158.35 19.55 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 113.983 -1.462 . . . . 0.0 108.741 164.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.0 -28.85 64.79 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.532 0.733 . . . . 0.0 112.678 -169.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.53 -40.86 69.07 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.382 1.073 . . . . 0.0 112.25 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -63.38 -39.69 95.2 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.556 -176.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.452 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.3 mm? -79.21 -27.82 42.54 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.212 -177.243 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -76.37 -18.25 58.98 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.002 0.521 . . . . 0.0 110.738 173.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -78.51 -60.41 2.38 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 171.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -82.71 9.35 9.81 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.473 0.709 . . . . 0.0 112.433 -175.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? 65.34 21.56 11.97 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 124.326 1.05 . . . . 0.0 111.682 174.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.523 ' HA ' HD13 ' A' ' 60' ' ' ILE . 26.2 mt -86.01 5.96 30.99 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 123.881 0.872 . . . . 0.0 111.211 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.9 t -85.34 -6.46 59.23 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.185 0.594 . . . . 0.0 112.371 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.83 -152.36 7.44 Favored Glycine 0 C--N 1.354 1.545 0 N-CA-C 112.392 -0.283 . . . . 0.0 112.392 176.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.5 t -90.61 127.08 36.16 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 174.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.489 ' HA ' HD12 ' A' ' 60' ' ' ILE . 4.9 m-20 -54.03 -28.24 37.15 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 124.08 0.952 . . . . 0.0 113.344 -170.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -59.8 -55.36 35.23 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 123.564 0.746 . . . . 0.0 110.911 176.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 96.0 p -68.19 -43.51 77.96 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.055 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.523 HD13 ' HA ' ' A' ' 53' ' ' LEU . 69.7 mt -54.24 -52.07 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.827 0.851 . . . . 0.0 111.372 -177.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.1 ptt85 -70.96 -27.1 63.49 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.443 0.464 . . . . 0.0 110.728 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -72.05 -33.29 67.84 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 122.318 0.247 . . . . 0.0 111.365 178.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -86.33 -37.54 18.38 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.675 0.39 . . . . 0.0 110.611 179.135 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 87.6 mtt-85 -97.89 125.12 42.63 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.195 0.598 . . . . 0.0 110.755 -178.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -78.23 -178.01 5.44 Favored 'General case' 0 C--O 1.248 1.009 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.344 171.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.424 ' O ' HG13 ' A' ' 70' ' ' ILE . 62.2 m -56.89 -43.45 81.34 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.12 -176.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.8 m -54.45 -43.05 71.31 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 124.093 0.957 . . . . 0.0 113.536 -171.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -63.47 -39.45 94.49 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.545 0.738 . . . . 0.0 111.676 178.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.487 ' HB3' HD23 ' A' ' 35' ' ' LEU . 58.1 mt -81.77 -29.98 32.55 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.107 -173.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.437 HG22 ' HD2' ' A' ' 74' ' ' LYS . 77.3 mt -59.22 -57.27 12.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 167.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.9 -33.65 70.77 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.445 1.098 . . . . 0.0 111.685 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.82 -48.28 74.96 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.174 0.59 . . . . 0.0 111.016 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.465 ' HB2' HD11 ' A' ' 35' ' ' LEU . 71.9 t80 -68.02 -33.43 74.59 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 122.919 0.488 . . . . 0.0 111.358 -179.252 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HD2' HG22 ' A' ' 70' ' ' ILE . 59.4 mtpt -66.45 -55.89 13.56 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -55.87 -32.82 64.02 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.083 0.953 . . . . 0.0 111.251 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.547 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 5.8 t80 -66.16 -51.39 58.31 Favored 'General case' 0 C--O 1.253 1.288 0 C-N-CA 125.207 1.403 . . . . 0.0 111.309 178.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 44.2 t -66.42 -44.54 82.63 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.686 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -66.48 -29.04 69.07 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.017 0.927 . . . . 0.0 110.868 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -67.55 -35.26 78.71 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.878 0.871 . . . . 0.0 110.081 174.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.126 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.116 177.448 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.426 ' SD ' ' HD3' ' A' ' 41' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.238 0.457 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.73 42.7 97.05 Favored Glycine 0 CA--C 1.528 0.854 0 O-C-N 124.009 0.818 . . . . 0.0 114.725 173.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.2 t -79.1 93.65 5.2 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 172.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -103.45 -178.77 3.76 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.19 0.596 . . . . 0.0 110.271 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.4 m -104.65 164.56 11.68 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.644 0.778 . . . . 0.0 109.484 166.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.5 mm -55.54 -42.3 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 123.81 0.844 . . . . 0.0 111.092 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.604 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 40.1 mt-10 -70.86 -35.76 72.53 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.153 -175.567 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -62.56 -42.96 99.87 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-O 121.414 0.626 . . . . 0.0 109.529 173.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.3 t -60.92 -57.52 11.7 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.722 178.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.604 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.9 pt-20 -63.97 -39.1 93.37 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.247 0.619 . . . . 0.0 112.318 -172.583 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -78.52 -37.0 44.12 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.299 -175.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -100.69 -5.03 27.11 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -173.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.507 HD22 ' HG2' ' A' ' 32' ' ' LYS . 3.4 mt -63.24 117.49 6.65 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-N 118.779 0.718 . . . . 0.0 111.37 -179.172 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.15 -17.39 22.01 Favored Glycine 0 C--N 1.344 1.017 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.559 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.8 p -83.15 -176.44 6.33 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 122.89 0.476 . . . . 0.0 109.997 176.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -90.19 -4.34 57.3 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.611 0.364 . . . . 0.0 110.571 171.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -79.67 -41.99 25.71 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.398 0.679 . . . . 0.0 109.692 173.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.68 85.81 29.67 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 172.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -69.08 145.7 61.93 Favored 'Trans proline' 0 C--N 1.367 1.504 0 C-N-CA 121.776 1.651 . . . . 0.0 111.112 174.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.507 ' HG2' HD22 ' A' ' 25' ' ' LEU . 54.4 mtmt -58.16 -38.46 76.68 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.698 0.799 . . . . 0.0 111.086 -178.426 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -54.33 -48.42 71.41 Favored 'General case' 0 N--CA 1.478 0.925 0 O-C-N 123.857 0.723 . . . . 0.0 111.513 175.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -69.85 -29.82 67.15 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.385 0.674 . . . . 0.0 111.535 -172.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.481 HD12 ' HB3' ' A' ' 69' ' ' LEU . 2.4 tm? -62.96 -52.62 62.3 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 172.134 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.466 HG12 HD22 ' A' ' 53' ' ' LEU . 70.5 mt -56.43 -39.28 60.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 CA-C-N 114.677 -1.147 . . . . 0.0 111.131 176.388 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 76.1 m -64.76 -48.82 73.14 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.853 0.861 . . . . 0.0 109.99 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -53.85 -48.65 69.78 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.069 0.548 . . . . 0.0 110.444 177.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.72 -39.55 93.84 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.632 -174.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -77.35 -18.25 57.56 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.896 -0.502 . . . . 0.0 112.088 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HD3' ' SD ' ' A' ' 13' ' ' MET . 31.0 mtpp -84.59 -34.81 23.09 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.536 0.334 . . . . 0.0 111.872 173.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -99.25 -22.28 15.69 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -172.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.91 179.62 4.28 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.128 0.571 . . . . 0.0 111.43 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -100.33 161.51 13.55 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.195 0.998 . . . . 0.0 109.843 175.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.48 -37.05 36.53 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 124.327 1.051 . . . . 0.0 113.601 -172.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.13 -42.38 80.81 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.019 0.928 . . . . 0.0 112.137 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -63.98 -39.42 94.08 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.487 -176.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.444 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.7 mm? -76.21 -34.23 59.26 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.711 -178.629 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -70.89 -22.27 62.29 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 116.82 -0.173 . . . . 0.0 111.069 175.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -73.82 -57.95 3.63 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.681 0.792 . . . . 0.0 109.978 173.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -85.72 9.77 15.43 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -173.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.493 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 11.2 mmpt? 70.05 19.99 6.63 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 124.739 1.215 . . . . 0.0 111.87 174.07 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.524 ' HA ' HD13 ' A' ' 60' ' ' ILE . 22.2 mt -90.3 4.08 51.78 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 124.461 1.104 . . . . 0.0 111.862 -178.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.3 t -78.37 -20.14 51.88 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -177.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -83.37 -154.04 16.18 Favored Glycine 0 C--N 1.35 1.356 0 O-C-N 123.164 0.29 . . . . 0.0 113.698 -173.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.416 ' O ' HG13 ' A' ' 60' ' ' ILE . 2.6 t -78.28 123.28 26.78 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 171.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.547 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.8 m-20 -54.31 -26.79 31.43 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.091 0.956 . . . . 0.0 112.911 -175.054 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -55.76 -56.61 18.47 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.436 0.695 . . . . 0.0 110.83 172.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.1 m -72.24 -29.17 63.67 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.332 -177.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 57' ' ' ASN . 62.7 mt -66.81 -51.11 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 123.141 0.276 . . . . 0.0 110.56 -178.218 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 12.5 ptt180 -73.39 -25.57 60.62 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 117.786 0.266 . . . . 0.0 111.426 178.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -67.93 -45.57 73.94 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.768 0.427 . . . . 0.0 111.1 174.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -81.15 -40.43 23.99 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.449 0.699 . . . . 0.0 110.883 -176.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -105.27 116.54 32.12 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.014 -175.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -77.56 -174.16 3.27 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.184 0.593 . . . . 0.0 110.668 177.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.427 ' O ' HG13 ' A' ' 70' ' ' ILE . 22.5 p -49.71 -49.23 48.64 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.168 0.987 . . . . 0.0 111.946 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.1 m -53.72 -41.63 67.21 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.9 1.28 . . . . 0.0 113.114 -172.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -62.01 -46.91 87.12 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 123.66 0.6 . . . . 0.0 110.404 177.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.481 ' HB3' HD12 ' A' ' 35' ' ' LEU . 57.0 mt -76.37 -25.83 55.03 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.524 -173.223 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 66' ' ' CYS . 73.0 mt -66.76 -52.89 40.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 171.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.62 -29.92 69.54 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.862 0.865 . . . . 0.0 111.962 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.42 -51.12 31.77 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.315 0.646 . . . . 0.0 110.961 177.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -65.44 -37.14 86.0 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.459 0.703 . . . . 0.0 110.369 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.457 ' O ' ' HG2' ' A' ' 78' ' ' GLU . 57.2 mtpt -60.95 -59.73 4.91 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.797 0.839 . . . . 0.0 109.488 176.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -56.28 -33.93 65.98 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 123.955 0.785 . . . . 0.0 111.287 -176.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -64.83 -56.5 13.07 Favored 'General case' 0 C--O 1.252 1.187 0 C-N-CA 123.86 0.864 . . . . 0.0 110.768 177.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 74.4 m -62.67 -34.71 77.67 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.023 -178.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 16.0 mm-40 -81.64 -30.11 32.92 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.713 0.805 . . . . 0.0 110.773 -178.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -71.2 -22.15 62.05 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.018 0.527 . . . . 0.0 110.117 175.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.189 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.24 178.227 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.38 46.65 68.67 Favored Glycine 0 CA--C 1.526 0.743 0 O-C-N 123.332 0.395 . . . . 0.0 113.912 175.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.5 p -84.28 88.73 7.25 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 174.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 -90.54 171.73 9.2 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.355 0.662 . . . . 0.0 111.8 -171.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.2 m -78.05 158.47 29.18 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.578 166.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.453 HD11 ' SG ' ' A' ' 77' ' ' CYS . 49.6 mm -60.15 -42.48 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 174.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.628 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 43.8 mt-10 -70.75 -31.61 68.49 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.148 -178.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -63.81 -44.74 92.37 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.3 t -59.75 -62.09 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.539 177.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.628 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.5 pt-20 -59.76 -40.15 87.19 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -171.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -76.34 -45.3 32.76 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.584 -175.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -90.8 -2.05 57.81 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 118.913 -0.565 . . . . 0.0 111.845 -173.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.92 112.85 2.22 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 118.345 0.52 . . . . 0.0 111.064 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.84 -9.56 23.4 Favored Glycine 0 C--N 1.345 1.047 0 CA-C-N 115.744 -0.662 . . . . 0.0 113.543 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.1 p -91.08 -174.64 4.05 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 117.67 0.735 . . . . 0.0 111.268 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -74.57 -25.64 59.42 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.544 0.738 . . . . 0.0 110.938 170.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -77.08 -39.41 49.81 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.727 0.811 . . . . 0.0 111.378 -177.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.448 HD11 HD23 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -141.46 80.2 16.56 Favored Pre-proline 0 CA--C 1.545 0.781 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 177.411 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -59.78 153.61 55.25 Favored 'Trans proline' 0 C--N 1.372 1.801 0 C-N-CA 121.928 1.752 . . . . 0.0 112.091 170.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -59.13 -41.1 87.45 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.961 173.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.465 ' HB2' ' HD2' ' A' ' 61' ' ' ARG . 3.7 t30 -66.06 -41.52 90.66 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 115.08 -0.963 . . . . 0.0 110.413 -176.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.2 -39.12 91.68 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.714 1.206 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.548 HD12 ' HB3' ' A' ' 69' ' ' LEU . 2.7 tm? -64.61 -49.87 69.39 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.8 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.8 mt -58.99 -41.95 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 C-N-CA 124.109 0.964 . . . . 0.0 111.163 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.3 m -59.75 -49.04 79.27 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.729 178.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -54.67 -49.74 69.9 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.863 0.465 . . . . 0.0 110.755 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 83.7 mt -57.73 -42.87 84.74 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.012 -175.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -79.92 -21.92 43.35 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -75.1 -34.26 61.7 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.698 0.399 . . . . 0.0 111.681 176.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -95.69 -33.24 12.39 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.43 155.64 19.57 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -83.6 161.49 21.12 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.012 168.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.73 -32.86 14.55 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.309 1.044 . . . . 0.0 113.785 -168.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.74 -43.25 65.6 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 124.372 1.069 . . . . 0.0 112.184 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -67.31 -40.4 85.99 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.507 -176.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.404 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.3 mm? -75.64 -28.41 58.78 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.689 -178.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -77.54 -19.99 54.89 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.153 0.581 . . . . 0.0 110.511 175.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -75.45 -56.09 5.04 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.878 0.471 . . . . 0.0 110.702 171.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -85.42 4.56 34.94 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -175.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? 67.04 21.42 10.23 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 124.702 1.201 . . . . 0.0 111.152 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.495 ' HA ' HD13 ' A' ' 60' ' ' ILE . 19.9 mt -83.17 1.65 39.5 Favored 'General case' 0 CA--C 1.559 1.315 0 C-N-CA 124.032 0.933 . . . . 0.0 110.652 177.375 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -71.1 -22.08 62.14 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.182 0.993 . . . . 0.0 112.699 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -77.54 -168.04 30.15 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-O 120.316 -0.158 . . . . 0.0 113.042 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 t -70.9 130.04 40.6 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 117.099 0.449 . . . . 0.0 110.37 174.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.634 ' HA ' HD12 ' A' ' 60' ' ' ILE . 7.3 m-20 -55.38 -25.89 38.08 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 124.323 1.049 . . . . 0.0 113.748 -173.483 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -63.84 -50.91 67.02 Favored 'General case' 0 C--O 1.254 1.313 0 C-N-CA 123.465 0.706 . . . . 0.0 111.124 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 m -66.75 -34.76 78.56 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.948 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.634 HD12 ' HA ' ' A' ' 57' ' ' ASN . 52.1 mt -65.94 -55.16 20.58 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.973 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.817 -178.354 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.465 ' HD2' ' HB2' ' A' ' 33' ' ' ASN . 2.5 ptm180 -60.92 -30.34 70.14 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 122.755 0.422 . . . . 0.0 111.342 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -70.11 -48.68 56.56 Favored 'General case' 0 CA--C 1.556 1.191 0 O-C-N 123.221 0.325 . . . . 0.0 110.785 178.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -82.67 -46.65 12.96 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.033 0.533 . . . . 0.0 110.932 -172.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.42 ' HD2' ' N ' ' A' ' 64' ' ' ARG . 4.2 mpt_? -79.29 123.81 27.8 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.215 1.006 . . . . 0.0 109.001 177.223 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -88.49 -176.03 5.17 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.257 178.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.47 ' O ' HG13 ' A' ' 70' ' ' ILE . 24.3 p -54.29 -49.59 69.28 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.6 0.76 . . . . 0.0 111.444 -178.659 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.9 m -57.62 -39.77 77.65 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.78 0.832 . . . . 0.0 113.224 -172.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -61.99 -41.24 97.82 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.122 0.487 . . . . 0.0 111.599 176.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.548 ' HB3' HD12 ' A' ' 35' ' ' LEU . 65.2 mt -77.12 -31.35 55.69 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.785 -175.602 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.511 HG22 ' HE2' ' A' ' 74' ' ' LYS . 25.3 mt -68.44 -44.25 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 173.233 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.32 -38.37 86.61 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.89 178.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.31 -43.26 70.7 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.604 0.762 . . . . 0.0 111.889 178.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -67.0 -42.33 85.17 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 120.929 0.395 . . . . 0.0 110.309 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.511 ' HE2' HG22 ' A' ' 70' ' ' ILE . 57.7 mtmt -60.8 -52.03 66.79 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.634 173.564 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -56.17 -31.79 63.73 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.6 0.76 . . . . 0.0 111.166 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -75.44 -48.57 22.16 Favored 'General case' 0 C--O 1.254 1.293 0 C-N-CA 123.906 0.883 . . . . 0.0 112.316 -177.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.453 ' SG ' HD11 ' A' ' 18' ' ' ILE . 30.8 p -68.68 -37.43 79.58 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 121.118 0.485 . . . . 0.0 110.528 178.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -72.46 -25.02 61.29 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.541 1.137 . . . . 0.0 110.925 175.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -65.52 -39.02 91.33 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.19 0.596 . . . . 0.0 109.542 172.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.999 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.506 177.173 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.241 0.651 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.15 45.94 37.75 Favored Glycine 0 C--N 1.335 0.496 0 CA-C-N 116.094 -0.503 . . . . 0.0 113.961 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 80.1 m -87.83 97.98 11.22 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 168.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 -102.21 172.81 6.68 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.626 0.77 . . . . 0.0 110.82 -173.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.4 m -84.74 160.84 20.2 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.1 0.56 . . . . 0.0 109.718 167.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.529 HD12 ' HG2' ' A' ' 74' ' ' LYS . 47.9 mm -60.77 -48.36 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 123.505 0.722 . . . . 0.0 110.398 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.564 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 49.0 mt-10 -70.9 -23.73 62.34 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.831 -178.578 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -67.67 -46.88 71.07 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 172.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.9 t -54.8 -63.04 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 123.449 0.7 . . . . 0.0 110.377 177.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.564 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 11.9 pt-20 -64.04 -44.24 93.13 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -171.528 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -79.8 -24.05 41.69 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -172.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -104.09 -3.33 24.65 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-O 118.726 -0.654 . . . . 0.0 111.768 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.459 HD22 ' HG2' ' A' ' 32' ' ' LYS . 6.8 mt -58.95 118.12 5.43 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 119.061 0.846 . . . . 0.0 111.533 178.277 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.57 -14.85 20.08 Favored Glycine 0 C--N 1.344 1.004 0 O-C-N 123.759 0.662 . . . . 0.0 112.823 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.8 p -91.13 -175.07 4.18 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.862 0.465 . . . . 0.0 111.053 -176.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -84.19 -21.85 31.14 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.796 0.438 . . . . 0.0 110.082 171.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -70.46 -37.58 74.33 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.861 0.865 . . . . 0.0 110.513 176.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.5 83.51 10.72 Favored Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 175.199 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -69.01 139.09 41.88 Favored 'Trans proline' 0 C--N 1.369 1.632 0 C-N-CA 122.233 1.956 . . . . 0.0 110.772 173.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.459 ' HG2' HD22 ' A' ' 25' ' ' LEU . 56.0 mtmt -56.28 -42.65 77.83 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.048 0.939 . . . . 0.0 111.596 -177.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -51.66 -46.8 63.89 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.799 0.84 . . . . 0.0 110.992 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -72.18 -30.94 65.46 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.75 0.82 . . . . 0.0 111.588 -171.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.6 -51.53 66.94 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 173.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.5 mt -59.73 -37.71 72.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.583 178.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 89.4 m -60.86 -53.56 55.8 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.199 1.0 . . . . 0.0 110.545 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -54.66 -46.67 74.06 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.57 0.748 . . . . 0.0 110.137 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.5 mp -58.84 -46.32 87.98 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.64 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.47 ' HA ' HD21 ' A' ' 48' ' ' LEU . 10.5 pt20 -78.43 -20.26 51.46 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 118.162 0.437 . . . . 0.0 112.161 -177.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -74.62 -40.35 61.59 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-O 120.733 0.302 . . . . 0.0 111.042 175.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -92.37 -32.87 14.8 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -175.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.93 162.69 14.65 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -176.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.35 157.86 28.98 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 114.141 -1.39 . . . . 0.0 109.725 176.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.13 -34.05 59.35 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.496 0.718 . . . . 0.0 111.595 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.4 -40.73 78.88 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.217 1.007 . . . . 0.0 112.206 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -68.19 -41.41 81.45 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.684 0.794 . . . . 0.0 110.72 -176.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.481 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.7 mm? -72.91 -29.34 63.06 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.597 178.282 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -78.92 -17.88 54.76 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 122.221 -0.299 . . . . 0.0 111.204 174.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -77.79 -48.42 16.6 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.379 0.671 . . . . 0.0 110.661 173.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 92.8 m95 -95.35 4.99 52.84 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.473 0.709 . . . . 0.0 111.946 -177.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm 68.28 24.1 7.54 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 125.263 1.425 . . . . 0.0 112.191 172.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.481 ' HB2' HD12 ' A' ' 48' ' ' LEU . 19.6 mt -88.31 17.7 5.01 Favored 'General case' 0 CA--C 1.561 1.404 0 C-N-CA 124.783 1.233 . . . . 0.0 110.948 176.363 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -81.88 -7.81 59.63 Favored 'General case' 0 CA--C 1.561 1.372 0 C-N-CA 124.091 0.956 . . . . 0.0 112.8 -175.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -87.41 -160.56 35.51 Favored Glycine 0 N--CA 1.482 1.723 0 CA-C-O 120.059 -0.3 . . . . 0.0 112.567 177.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.8 t -82.42 135.76 35.08 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 172.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -58.91 -25.26 63.25 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.216 1.006 . . . . 0.0 113.074 -173.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -58.4 -54.33 48.23 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 123.569 0.543 . . . . 0.0 109.874 172.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.0 m -68.2 -29.63 68.52 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.543 178.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' A' ' 64' ' ' ARG . 60.8 mt -74.25 -44.41 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 117.878 0.308 . . . . 0.0 110.934 -176.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -69.32 -24.91 63.99 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.067 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -76.94 -47.49 20.82 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.98 0.912 . . . . 0.0 111.92 177.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -92.86 -40.62 10.52 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.47 0.708 . . . . 0.0 111.483 -169.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.418 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 4.4 mpt_? -85.38 156.07 21.03 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.089 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -96.84 169.81 9.6 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 123.64 0.776 . . . . 0.0 109.817 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.472 ' O ' HG13 ' A' ' 70' ' ' ILE . 27.8 p -58.85 -36.42 74.55 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 123.67 0.606 . . . . 0.0 110.863 177.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.5 m -51.72 -42.7 62.46 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 124.359 1.064 . . . . 0.0 112.969 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -60.9 -43.43 98.54 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.041 0.536 . . . . 0.0 110.875 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.5 mp -69.98 -42.01 73.67 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.504 -176.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.493 HG22 ' HE2' ' A' ' 74' ' ' LYS . 20.6 mt -64.7 -50.23 76.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.53 -40.38 91.29 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.512 1.125 . . . . 0.0 111.715 -177.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.25 -44.38 75.75 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.399 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -63.16 -43.21 98.93 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 122.997 0.519 . . . . 0.0 110.572 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.529 ' HG2' HD12 ' A' ' 18' ' ' ILE . 57.3 mtmt -60.92 -57.9 10.69 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.922 177.619 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.446 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 26.3 t70 -54.67 -35.23 63.32 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 124.278 0.986 . . . . 0.0 111.176 -177.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -69.93 -48.98 56.35 Favored 'General case' 0 C--O 1.254 1.299 0 C-N-CA 124.018 0.927 . . . . 0.0 111.94 -177.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 42.3 t -65.81 -33.66 76.36 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.835 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -81.28 -21.49 39.31 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.001 177.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 0.1 OUTLIER -69.89 -34.91 74.15 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.482 0.713 . . . . 0.0 109.479 176.076 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 1.387 0 C-N-CA 120.755 -0.735 . . . . 0.0 111.484 176.262 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptm . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 120.824 0.345 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -153.86 94.8 1.8 Allowed 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 173.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -63.91 -12.08 33.72 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -167.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 61.0 p -74.46 1.88 10.84 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 123.511 0.725 . . . . 0.0 112.121 173.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -72.08 -16.53 62.02 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.356 0.662 . . . . 0.0 110.895 174.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -60.12 -17.03 37.23 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.571 0.748 . . . . 0.0 111.686 -176.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.84 -28.32 2.96 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.677 0.791 . . . . 0.0 110.11 172.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.43 ' NZ ' ' HA3' ' A' ' 88' ' ' GLY . 13.3 mptt -101.15 25.66 7.92 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.889 -0.507 . . . . 0.0 112.237 -176.136 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.452 ' HG2' ' HD3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -72.86 158.06 36.26 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 121.097 0.475 . . . . 0.0 111.065 176.492 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -94.33 156.38 16.53 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.739 0.816 . . . . 0.0 109.605 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.57 24.72 15.16 Favored Glycine 0 C--N 1.339 0.742 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.452 ' HD3' ' HG2' ' A' ' 9' ' ' GLU . 12.9 mmmm -77.84 85.16 4.12 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 175.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.13 162.86 26.33 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 114.041 -1.436 . . . . 0.0 110.111 -176.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.433 ' HA2' ' CE2' ' A' ' 16' ' ' TRP . . . 81.73 10.86 83.68 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 115.189 0.836 . . . . 0.0 115.189 170.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -85.1 73.5 10.64 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 175.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.433 ' CE2' ' HA2' ' A' ' 14' ' ' GLY . 4.3 m-90 -84.57 168.04 15.74 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 124.256 1.023 . . . . 0.0 110.79 -176.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.5 m -72.98 154.95 40.31 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.621 168.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.56 HD12 ' HG2' ' A' ' 74' ' ' LYS . 51.3 mm -62.1 -46.17 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 122.618 0.367 . . . . 0.0 110.411 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.561 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 48.5 mt-10 -69.49 -28.58 66.19 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.811 -179.136 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -62.92 -47.0 85.14 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 172.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.406 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 41.8 t -57.28 -64.53 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.256 177.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.561 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 11.1 pt-20 -64.23 -41.86 96.82 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -168.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -77.68 -37.14 50.33 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.383 0.427 . . . . 0.0 110.715 -174.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -96.13 -1.87 47.63 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 118.399 -0.81 . . . . 0.0 111.921 -176.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 21' ' ' VAL . 8.0 mt -58.12 111.79 1.31 Allowed 'General case' 0 N--CA 1.486 1.339 0 CA-C-N 118.828 0.74 . . . . 0.0 110.552 176.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.78 2.78 39.96 Favored Glycine 0 CA--C 1.533 1.185 0 CA-C-N 115.077 -0.965 . . . . 0.0 114.238 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.3 p -93.49 -178.28 4.67 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 117.95 0.875 . . . . 0.0 110.535 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -77.31 -20.71 54.56 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.933 0.493 . . . . 0.0 110.608 171.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -79.47 -46.0 18.3 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.065 0.946 . . . . 0.0 110.697 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -135.13 81.19 45.39 Favored Pre-proline 0 CA--C 1.546 0.82 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 175.822 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.29 146.9 87.18 Favored 'Trans proline' 0 C--N 1.364 1.343 0 C-N-CA 121.971 1.781 . . . . 0.0 111.319 172.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -56.65 -38.52 72.29 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.212 1.005 . . . . 0.0 111.571 -177.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -58.12 -41.42 83.57 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 123.887 0.742 . . . . 0.0 111.618 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.95 -29.76 65.86 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.572 0.749 . . . . 0.0 112.308 -176.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -66.49 -49.93 64.96 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 173.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.0 mt -57.24 -39.78 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.691 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.9 m -64.84 -50.94 64.67 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 123.973 0.909 . . . . 0.0 110.595 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -54.56 -46.72 73.74 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.326 0.65 . . . . 0.0 110.243 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mp -61.64 -46.2 90.79 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.558 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.426 ' HA ' HD21 ' A' ' 48' ' ' LEU . 10.4 pt20 -77.21 -17.71 58.29 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.791 -0.568 . . . . 0.0 112.394 -178.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -77.31 -55.25 5.56 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.711 0.291 . . . . 0.0 110.319 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -80.53 -46.45 15.78 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.245 0.618 . . . . 0.0 112.234 -170.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.35 162.46 27.86 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -173.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.43 158.07 35.68 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 114.7 -1.136 . . . . 0.0 109.841 173.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.36 -31.13 67.33 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.417 0.687 . . . . 0.0 112.008 -176.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.56 -41.55 81.26 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.126 0.97 . . . . 0.0 112.087 177.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -64.39 -45.44 87.65 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.785 0.834 . . . . 0.0 110.487 -175.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.525 HD12 ' HB2' ' A' ' 53' ' ' LEU . 2.2 mm? -71.23 -33.16 69.62 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.833 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -68.75 -26.31 65.17 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 122.429 -0.169 . . . . 0.0 111.002 173.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -75.87 -38.17 58.18 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.098 0.559 . . . . 0.0 111.162 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -100.1 6.41 44.93 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.747 ' HB2' ' HD2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER 63.9 24.44 13.69 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 124.668 1.187 . . . . 0.0 111.508 178.263 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.525 ' HB2' HD12 ' A' ' 48' ' ' LEU . 13.8 mt -92.44 11.53 25.87 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 123.89 0.876 . . . . 0.0 110.496 176.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.3 t -80.03 -8.99 59.66 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 124.215 1.006 . . . . 0.0 113.176 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -89.97 -143.06 9.99 Favored Glycine 0 N--CA 1.479 1.516 0 CA-C-N 117.757 0.253 . . . . 0.0 113.716 -176.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.1 t -93.87 130.75 39.8 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.7 0.8 . . . . 0.0 109.338 174.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.448 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.5 m-20 -53.55 -25.07 15.47 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 124.124 0.969 . . . . 0.0 113.504 -172.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -63.89 -57.36 10.04 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 123.388 0.43 . . . . 0.0 109.958 175.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.1 t -67.89 -26.65 66.11 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.549 0.34 . . . . 0.0 110.726 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 57' ' ' ASN . 87.0 mt -68.21 -48.47 73.54 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 C-N-CA 122.627 0.371 . . . . 0.0 110.462 178.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 16.2 ptm180 -73.1 -19.19 61.2 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 118.835 0.743 . . . . 0.0 111.569 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -82.4 -37.75 25.08 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.126 0.57 . . . . 0.0 112.35 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -101.6 -29.87 11.7 Favored 'General case' 0 N--CA 1.498 1.938 0 C-N-CA 123.034 0.534 . . . . 0.0 112.164 -173.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.747 ' HD2' ' HB2' ' A' ' 52' ' ' LYS . 3.9 mmp_? -100.42 109.9 22.07 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.736 0.815 . . . . 0.0 108.93 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -78.29 179.93 6.64 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.179 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.467 ' O ' HG13 ' A' ' 70' ' ' ILE . 17.0 p -54.8 -41.9 71.16 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.218 -177.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.3 m -47.59 -44.7 26.67 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.724 1.21 . . . . 0.0 112.672 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -64.28 -45.47 87.89 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.952 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.0 mp -71.02 -36.13 72.28 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 114.803 -1.09 . . . . 0.0 112.003 -176.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.58 HG22 ' HE2' ' A' ' 74' ' ' LYS . 41.9 mt -70.57 -53.28 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 -178.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.24 -41.29 92.86 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.865 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.13 -54.77 42.95 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.14 0.576 . . . . 0.0 112.201 173.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -62.52 -41.0 98.56 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.966 0.507 . . . . 0.0 110.964 -175.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.58 ' HE2' HG22 ' A' ' 70' ' ' ILE . 55.1 mtmt -61.75 -58.01 9.68 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.806 178.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -60.3 -25.07 65.46 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.509 0.723 . . . . 0.0 112.268 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -69.0 -55.42 10.91 Favored 'General case' 0 C--O 1.26 1.646 0 C-N-CA 123.643 0.777 . . . . 0.0 110.683 176.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 64.3 m -64.53 -38.0 89.51 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.933 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -73.75 -26.36 60.63 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.577 1.151 . . . . 0.0 111.41 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -65.35 -35.17 80.16 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 122.978 0.511 . . . . 0.0 109.96 172.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.96 43.49 5.67 Favored Glycine 0 C--N 1.346 1.114 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.5 t -43.13 149.88 0.2 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.345 1.858 . . . . 0.0 115.377 -169.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.65 ' HA ' ' HG2' ' A' ' 87' ' ' GLN . 50.2 mtpt -98.86 29.7 3.68 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.975 -178.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.6 m -85.49 24.34 1.2 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.442 1.097 . . . . 0.0 111.717 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.84 32.52 63.73 Favored Glycine 0 C--N 1.348 1.24 0 O-C-N 123.212 0.32 . . . . 0.0 113.524 -178.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 79.5 mt -108.26 81.65 1.51 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 61.09 43.07 11.63 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.785 1.234 . . . . 0.0 109.85 -175.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.65 ' HG2' ' HA ' ' A' ' 82' ' ' LYS . 6.4 tp-100 -148.42 151.32 35.04 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.709 -1.132 . . . . 0.0 109.519 -174.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.43 ' HA3' ' NZ ' ' A' ' 8' ' ' LYS . . . . . . . . 0 C--N 1.347 1.164 0 CA-C-O 118.585 -1.119 . . . . 0.0 113.247 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 N--CA 1.485 1.313 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -108.61 87.75 2.57 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 123.865 0.866 . . . . 0.0 109.203 172.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.04 -29.58 70.93 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.063 0.945 . . . . 0.0 111.172 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.7 t -64.27 -53.67 45.32 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.408 0.683 . . . . 0.0 110.328 175.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.79 -8.72 30.54 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.267 1.027 . . . . 0.0 113.016 -174.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -71.23 -55.48 8.0 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-O 121.185 0.517 . . . . 0.0 109.996 173.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -83.08 -23.41 33.12 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.007 0.923 . . . . 0.0 110.791 -178.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -102.09 43.37 1.07 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.83 1.252 . . . . 0.0 108.466 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -65.77 118.82 10.18 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.602 -175.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -78.14 155.26 30.57 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 114.672 -1.149 . . . . 0.0 109.574 -177.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.22 40.76 3.41 Favored Glycine 0 C--N 1.34 0.779 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 -170.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' HG3' ' SG ' ' A' ' 15' ' ' CYS . 8.6 ptpp? -65.13 86.12 0.06 Allowed 'General case' 0 CA--C 1.549 0.925 0 CA-C-O 122.545 1.164 . . . . 0.0 109.525 178.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.1 ptm -73.31 119.51 17.64 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 114.148 -1.387 . . . . 0.0 111.035 -172.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.62 28.49 63.19 Favored Glycine 0 C--N 1.341 0.848 0 O-C-N 123.716 0.635 . . . . 0.0 114.518 172.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.46 ' SG ' ' HG3' ' A' ' 12' ' ' LYS . 26.4 p -83.72 91.4 7.49 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 171.369 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 -93.41 171.33 8.98 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.536 0.734 . . . . 0.0 109.965 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 m -84.61 159.15 20.68 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 165.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 74' ' ' LYS . 49.9 mm -58.75 -43.22 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 123.154 0.582 . . . . 0.0 110.947 -176.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.597 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 40.8 mt-10 -72.52 -30.84 64.83 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.459 -177.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -62.39 -45.26 93.93 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 172.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.45 -58.87 4.32 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.528 178.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.597 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.8 pt-20 -65.67 -41.42 92.5 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -171.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -73.94 -33.08 63.79 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.842 0.457 . . . . 0.0 111.349 -175.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -99.54 -6.91 26.65 Favored 'General case' 0 CA--C 1.553 1.083 0 CA-C-O 119.019 -0.515 . . . . 0.0 112.033 -176.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.408 HD22 ' HG2' ' A' ' 32' ' ' LYS . 4.2 mt -58.88 119.17 6.71 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 118.59 0.632 . . . . 0.0 112.233 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.01 8.34 54.1 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-N 115.51 -0.768 . . . . 0.0 113.436 176.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.3 p -104.84 -178.25 3.6 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.834 0.454 . . . . 0.0 110.005 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -85.76 -0.15 54.47 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 122.837 0.455 . . . . 0.0 111.115 174.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -85.65 -56.63 3.41 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 170.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -127.28 89.85 50.48 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -70.38 148.78 61.79 Favored 'Trans proline' 0 C--N 1.37 1.671 0 C-N-CA 121.707 1.605 . . . . 0.0 110.724 172.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.521 ' HD3' ' SG ' ' A' ' 66' ' ' CYS . 38.2 mtmm -54.63 -37.74 66.0 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.963 0.905 . . . . 0.0 111.045 176.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -56.78 -45.01 82.41 Favored 'General case' 0 CA--C 1.549 0.917 0 O-C-N 124.116 0.885 . . . . 0.0 111.059 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.92 -34.18 74.95 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.417 1.087 . . . . 0.0 111.819 -175.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.473 HD13 HD13 ' A' ' 39' ' ' LEU . 2.9 tm? -62.66 -54.6 37.02 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 175.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.484 HG23 ' HB3' ' A' ' 53' ' ' LEU . 56.9 mt -55.78 -41.4 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.893 178.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.7 m -57.76 -49.67 75.79 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.511 1.124 . . . . 0.0 110.914 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.481 ' HD2' HD12 ' A' ' 39' ' ' LEU . 76.2 t80 -58.33 -48.53 80.24 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 123.59 0.556 . . . . 0.0 110.394 -177.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.481 HD12 ' HD2' ' A' ' 38' ' ' TYR . 10.8 mp -65.86 -38.67 89.44 Favored 'General case' 0 C--O 1.212 -0.903 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.176 -176.1 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.422 ' HA ' HD21 ' A' ' 48' ' ' LEU . 10.4 pt20 -76.99 -19.56 57.15 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 118.691 0.678 . . . . 0.0 111.652 179.094 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -78.77 -43.32 25.8 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.826 0.45 . . . . 0.0 111.452 172.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -89.58 -42.95 11.11 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -172.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.426 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . . . -84.03 169.89 14.48 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.202 0.601 . . . . 0.0 111.974 -179.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -90.87 159.15 16.39 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.138 0.975 . . . . 0.0 110.185 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.89 -35.14 57.54 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.248 1.019 . . . . 0.0 112.953 -169.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.93 -40.16 79.77 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.02 0.928 . . . . 0.0 112.458 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -65.61 -40.44 92.63 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.729 0.812 . . . . 0.0 110.241 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.469 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.4 mm? -74.63 -28.85 61.05 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.673 178.234 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -75.02 -18.73 60.3 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.884 0.474 . . . . 0.0 110.703 173.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -80.61 -43.29 20.78 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.227 0.611 . . . . 0.0 111.153 173.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -100.27 6.53 44.67 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -176.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.544 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 10.5 mmpt? 67.53 24.54 8.64 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 124.464 1.106 . . . . 0.0 112.421 176.074 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.609 ' HA ' HD13 ' A' ' 60' ' ' ILE . 31.1 mt -90.74 7.85 37.55 Favored 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 123.895 0.878 . . . . 0.0 111.172 177.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.5 t -85.2 -5.67 59.32 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.492 0.717 . . . . 0.0 112.467 -174.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -91.75 -158.05 34.21 Favored Glycine 0 N--CA 1.474 1.176 0 N-CA-C 112.588 -0.205 . . . . 0.0 112.588 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.2 t -76.78 127.81 33.44 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 170.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.598 ' HA ' HD12 ' A' ' 60' ' ' ILE . 2.6 m-20 -56.64 -27.1 57.79 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.177 0.991 . . . . 0.0 112.36 -171.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.563 ' HA ' ' HE ' ' A' ' 61' ' ' ARG . 31.4 ttpt -58.04 -56.15 25.68 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.028 0.931 . . . . 0.0 111.011 174.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.7 m -72.76 -27.5 62.05 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.972 -174.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.609 HD13 ' HA ' ' A' ' 53' ' ' LEU . 51.7 mt -68.11 -48.37 74.49 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.993 0 C-N-CA 122.862 0.465 . . . . 0.0 110.008 176.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.563 ' HE ' ' HA ' ' A' ' 58' ' ' LYS . 12.7 ptt180 -76.12 -16.6 59.86 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 111.782 0.289 . . . . 0.0 111.782 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -86.99 -37.02 17.91 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 122.747 0.419 . . . . 0.0 111.583 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -93.7 -45.29 7.76 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.013 0.525 . . . . 0.0 111.281 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.8 mmp_? -87.47 147.78 25.24 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -89.37 171.36 9.8 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.276 0.63 . . . . 0.0 111.191 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.521 ' SG ' ' HD3' ' A' ' 32' ' ' LYS . 76.0 m -57.23 -33.46 67.57 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.688 173.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.2 m -51.96 -45.25 64.32 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.701 1.2 . . . . 0.0 112.482 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -62.24 -42.31 99.2 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 123.562 0.539 . . . . 0.0 110.843 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.5 mp -70.26 -34.42 72.8 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 124.579 1.174 . . . . 0.0 111.988 -176.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.466 ' O ' ' HB2' ' A' ' 74' ' ' LYS . 38.0 mt -67.33 -51.89 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 176.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.68 -33.34 74.88 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 124.382 1.051 . . . . 0.0 111.814 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.3 -54.7 21.65 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.476 0.711 . . . . 0.0 111.193 177.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -63.25 -34.92 78.71 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.147 0.579 . . . . 0.0 110.235 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 22.7 ttmt -65.08 -58.58 5.68 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.02 -0.991 . . . . 0.0 108.885 -176.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 17.8 t70 -57.88 -31.65 66.92 Favored 'General case' 0 C--O 1.209 -1.076 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.924 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 19.5 t80 -63.65 -52.29 61.4 Favored 'General case' 0 C--O 1.259 1.598 0 C-N-CA 124.2 1.0 . . . . 0.0 111.426 179.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 42.4 t -66.73 -37.08 83.95 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.843 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 30.5 mm-40 -75.23 -23.77 57.61 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.672 0.789 . . . . 0.0 110.944 177.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 0.5 OUTLIER -66.78 -38.36 86.41 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.923 0.889 . . . . 0.0 109.088 175.743 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.71 43.12 2.97 Favored Glycine 0 C--N 1.347 1.147 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.273 176.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.1 t -42.66 136.67 2.45 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.467 1.507 . . . . 0.0 114.599 -171.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -92.73 17.78 9.85 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 114.198 -1.364 . . . . 0.0 111.191 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.1 t -63.21 -21.91 66.53 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.876 0.87 . . . . 0.0 112.195 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 117.88 14.39 6.72 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.2 -176.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.545 ' HB3' HE22 ' A' ' 87' ' ' GLN . 78.5 mt -79.54 74.31 6.2 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 121.503 0.668 . . . . 0.0 110.115 177.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -112.87 68.98 0.68 Allowed 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.545 HE22 ' HB3' ' A' ' 85' ' ' LEU . 2.1 mp0 -76.03 93.12 3.24 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 177.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.282 0 CA-C-O 118.743 -1.031 . . . . 0.0 111.221 -174.399 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 N--CA 1.485 1.308 0 N-CA-C 110.865 -0.05 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -76.06 92.46 3.19 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.763 0.825 . . . . 0.0 109.995 -175.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -101.76 -45.13 5.33 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.18 0.592 . . . . 0.0 112.522 -171.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.4 m -65.73 -45.56 82.21 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.365 -172.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -73.04 -15.03 61.52 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.71 0.804 . . . . 0.0 112.234 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -66.3 -48.77 69.27 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.038 0.535 . . . . 0.0 110.259 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.533 ' HG3' ' HD2' ' A' ' 8' ' ' LYS . 7.8 pt-20 -81.74 -33.15 31.17 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.548 176.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.533 ' HD2' ' HG3' ' A' ' 7' ' ' GLU . 0.7 OUTLIER -86.37 23.58 1.56 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.514 0.726 . . . . 0.0 111.681 177.424 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -78.45 146.47 34.46 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 118.205 0.457 . . . . 0.0 110.843 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -66.36 145.74 55.37 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.629 0.772 . . . . 0.0 109.752 175.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 116.56 34.42 1.3 Allowed Glycine 0 N--CA 1.473 1.127 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 -168.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.406 ' HG2' ' H ' ' A' ' 12' ' ' LYS . 20.2 pttp -67.5 86.99 0.19 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.539 1.136 . . . . 0.0 110.543 177.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.98 158.25 27.99 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.45 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.45 47.41 70.27 Favored Glycine 0 C--N 1.339 0.698 0 O-C-N 123.675 0.61 . . . . 0.0 113.809 170.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.1 m -86.85 83.25 7.58 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 170.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -83.65 170.22 14.51 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.604 0.762 . . . . 0.0 110.569 -173.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.9 m -85.71 159.76 19.71 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 170.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.534 HD12 ' HG2' ' A' ' 74' ' ' LYS . 37.6 mm -56.21 -42.64 73.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.5 0.72 . . . . 0.0 111.223 -177.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.554 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 35.8 mt-10 -71.41 -34.25 70.18 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.721 0.808 . . . . 0.0 112.034 -177.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -66.27 -42.42 88.49 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 175.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.3 t -57.18 -62.96 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.114 175.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.554 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 13.8 pt-20 -63.33 -41.94 98.94 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -170.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -78.74 -33.58 46.52 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 122.623 0.369 . . . . 0.0 111.597 -174.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -95.37 -7.28 38.98 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 118.846 -0.597 . . . . 0.0 112.206 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 mt -58.53 120.09 8.21 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 118.643 0.656 . . . . 0.0 110.965 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.02 -4.48 41.64 Favored Glycine 0 C--N 1.343 0.918 0 CA-C-N 115.629 -0.714 . . . . 0.0 113.46 177.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.6 p -91.44 -178.62 5.16 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 117.125 0.463 . . . . 0.0 110.461 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -76.44 -25.12 54.06 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.97 0.508 . . . . 0.0 110.739 171.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -75.55 -40.9 56.17 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.608 0.763 . . . . 0.0 110.918 -177.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -137.94 86.42 18.01 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 176.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.47 153.9 71.84 Favored 'Trans proline' 0 C--N 1.367 1.515 0 C-N-CA 122.347 2.032 . . . . 0.0 112.125 172.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.421 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 14.5 mttm -58.69 -38.67 78.76 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.719 172.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -54.06 -52.56 60.49 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.983 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.99 -30.3 71.49 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.256 1.022 . . . . 0.0 112.639 -174.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' ' 73' ' ' TYR . 2.0 tm? -66.47 -54.78 20.21 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 173.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.431 HG22 ' NE2' ' A' ' 40' ' ' GLN . 60.9 mt -55.69 -34.38 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.834 176.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.425 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 91.8 m -67.5 -51.5 50.38 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 124.347 1.059 . . . . 0.0 110.576 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.437 ' HD2' HD12 ' A' ' 39' ' ' LEU . 69.6 t80 -54.22 -44.56 71.79 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.15 0.58 . . . . 0.0 110.123 178.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.437 HD12 ' HD2' ' A' ' 38' ' ' TYR . 10.7 mp -64.33 -46.43 83.51 Favored 'General case' 0 C--O 1.202 -1.445 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.574 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.447 ' HA ' HD21 ' A' ' 48' ' ' LEU . 1.2 pt20 -73.57 -18.91 61.01 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 119.289 0.95 . . . . 0.0 112.213 -178.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 37' ' ' THR . 29.8 mtpp -76.54 -55.85 5.15 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.543 0.337 . . . . 0.0 110.138 174.094 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -82.8 -39.11 22.2 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.105 0.562 . . . . 0.0 112.427 -172.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 39' ' ' LEU . . . -81.18 152.15 27.87 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 121.13 0.49 . . . . 0.0 111.65 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -75.35 157.39 34.32 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.363 174.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.48 -32.3 49.58 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.78 0.832 . . . . 0.0 113.042 -171.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.37 -40.0 73.83 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.406 1.083 . . . . 0.0 112.566 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -68.24 -37.46 80.83 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.801 0.84 . . . . 0.0 110.698 -175.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.447 HD21 ' HA ' ' A' ' 40' ' ' GLN . 2.0 mm? -74.87 -35.52 62.33 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.988 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -67.36 -26.02 66.27 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.712 173.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -70.39 -60.85 2.03 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.042 0.537 . . . . 0.0 110.039 175.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -84.42 9.93 12.05 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -174.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.37 22.13 8.06 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 124.652 1.181 . . . . 0.0 111.081 175.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.546 ' HA ' HD13 ' A' ' 60' ' ' ILE . 21.5 mt -88.22 5.2 42.74 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 124.226 1.011 . . . . 0.0 111.03 176.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.1 t -75.64 -11.33 59.99 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.825 0.85 . . . . 0.0 112.631 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.74 -161.62 30.48 Favored Glycine 0 C--N 1.354 1.542 0 N-CA-C 112.666 -0.174 . . . . 0.0 112.666 177.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.3 t -81.58 128.87 34.38 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 172.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.581 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.6 m-20 -49.84 -28.56 6.63 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 125.193 1.397 . . . . 0.0 113.656 -173.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -68.2 -52.1 38.17 Favored 'General case' 0 C--O 1.247 0.946 0 C-N-CA 123.313 0.645 . . . . 0.0 110.831 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.8 t -61.29 -42.53 98.8 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.411 176.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 57' ' ' ASN . 56.3 mt -60.55 -49.91 82.51 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.891 0 C-N-CA 123.296 0.638 . . . . 0.0 110.971 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.421 ' HB2' ' HB2' ' A' ' 32' ' ' LYS . 24.5 ptt180 -69.54 -23.75 63.62 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.717 0.407 . . . . 0.0 111.403 -176.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.555 ' HA ' ' HE2' ' A' ' 62' ' ' LYS . 10.2 mmpt? -79.02 -32.18 44.95 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 172.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -92.69 -21.64 19.88 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.481 0.712 . . . . 0.0 111.868 -175.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 78.1 mmt-85 -125.71 113.17 16.97 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 124.589 1.156 . . . . 0.0 108.447 -175.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -78.45 -175.53 4.32 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.295 0.638 . . . . 0.0 110.798 176.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.426 ' O ' HG13 ' A' ' 70' ' ' ILE . 12.6 p -48.66 -47.86 40.25 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.027 0.931 . . . . 0.0 112.682 -177.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.4 m -48.12 -44.72 32.19 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.496 1.118 . . . . 0.0 113.463 -174.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -68.76 -38.42 80.07 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.815 0.446 . . . . 0.0 111.584 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.5 mp -76.52 -30.44 57.18 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.816 0.847 . . . . 0.0 111.797 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.518 HG22 ' HE2' ' A' ' 74' ' ' LYS . 58.1 mt -68.48 -48.45 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 175.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.58 -46.49 86.82 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 114.575 -1.193 . . . . 0.0 110.974 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.32 -46.17 87.89 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.71 0.804 . . . . 0.0 112.48 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.431 ' HB2' HD11 ' A' ' 35' ' ' LEU . 64.4 t80 -68.17 -43.62 77.77 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.729 0.412 . . . . 0.0 110.75 -177.615 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.534 ' HG2' HD12 ' A' ' 18' ' ' ILE . 55.1 mtmt -57.01 -56.69 18.48 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 123.726 0.641 . . . . 0.0 109.619 174.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -54.23 -35.71 62.75 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 124.527 1.142 . . . . 0.0 111.498 -176.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -69.73 -51.69 32.0 Favored 'General case' 0 C--O 1.255 1.379 0 C-N-CA 123.848 0.859 . . . . 0.0 111.764 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.37 -28.32 67.02 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.288 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -82.82 -28.74 29.99 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.162 0.985 . . . . 0.0 110.184 177.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -64.56 -33.58 76.24 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.163 0.585 . . . . 0.0 109.496 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 86.53 43.28 6.21 Favored Glycine 0 C--N 1.347 1.156 0 C-N-CA 121.073 -0.584 . . . . 0.0 111.937 172.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.3 t -44.64 139.52 2.85 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.738 1.215 . . . . 0.0 113.622 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -97.39 24.88 6.09 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.955 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.8 t -83.98 59.65 5.38 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 123.942 0.897 . . . . 0.0 109.932 176.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.59 -28.0 3.2 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-N 115.175 -0.921 . . . . 0.0 114.145 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 44.1 mt -64.71 89.33 0.07 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.921 0.888 . . . . 0.0 111.192 -176.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -111.74 82.6 1.64 Allowed 'General case' 0 C--O 1.239 0.526 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 173.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -79.66 129.17 34.24 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.216 -0.902 . . . . 0.0 108.98 -175.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 CA-C-O 118.861 -0.966 . . . . 0.0 111.588 -178.939 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.71 0.29 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -97.47 102.96 14.85 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.52 0.728 . . . . 0.0 109.412 177.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -101.32 -16.93 16.77 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.242 0.617 . . . . 0.0 111.671 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.0 m -72.44 -14.04 61.59 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -172.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -53.94 -25.27 19.69 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 124.498 1.119 . . . . 0.0 112.427 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -55.05 -44.36 74.65 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 124.507 1.123 . . . . 0.0 112.014 178.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -114.7 4.73 15.12 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.455 0.702 . . . . 0.0 111.376 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -125.63 77.88 1.69 Allowed 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 177.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.453 ' HB3' ' O ' ' A' ' 83' ' ' SER . 10.6 tp10 -71.31 133.29 45.92 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.349 -178.012 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -87.64 154.62 20.45 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.555 0.742 . . . . 0.0 109.405 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.48 42.24 2.21 Favored Glycine 0 C--N 1.336 0.583 0 N-CA-C 111.546 -0.622 . . . . 0.0 111.546 -171.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.518 ' HG2' HD22 ' A' ' 85' ' ' LEU . 8.6 mtpm? -65.49 87.31 0.08 Allowed 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 121.745 0.784 . . . . 0.0 110.267 175.31 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.1 ptm -136.24 149.13 48.37 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 114.147 -1.388 . . . . 0.0 108.128 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 68.65 26.42 74.46 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 115.702 1.041 . . . . 0.0 115.702 168.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -85.01 76.13 10.3 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 174.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.5 m-90 -90.44 164.49 14.27 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.763 -175.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.0 m -79.45 157.36 27.53 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.462 165.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.517 HD12 ' HG2' ' A' ' 74' ' ' LYS . 51.2 mm -60.17 -42.49 90.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 122.76 0.424 . . . . 0.0 111.045 -178.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.57 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 49.3 mt-10 -67.47 -32.83 73.95 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.668 179.025 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -64.09 -44.59 91.87 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 176.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.7 t -57.75 -63.02 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.265 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.57 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.8 pt-20 -62.58 -41.83 99.19 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.323 0.649 . . . . 0.0 112.629 -170.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -78.48 -38.3 41.32 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 122.656 0.382 . . . . 0.0 111.32 -173.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -90.3 -8.36 51.07 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 118.886 -0.578 . . . . 0.0 111.381 -177.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 66' ' ' CYS . 5.9 mt -60.65 116.85 4.68 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 118.801 0.728 . . . . 0.0 111.408 178.113 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.31 -15.44 30.2 Favored Glycine 0 C--N 1.348 1.215 0 CA-C-N 115.364 -0.835 . . . . 0.0 112.663 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.0 p -88.91 176.7 6.92 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.843 0.457 . . . . 0.0 110.886 -177.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.72 -36.01 81.48 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.083 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -67.5 -43.82 79.97 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.39 0.676 . . . . 0.0 111.23 -177.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -133.18 87.13 39.88 Favored Pre-proline 0 N--CA 1.478 0.948 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -70.51 157.46 58.86 Favored 'Trans proline' 0 C--N 1.367 1.546 0 C-N-CA 121.674 1.582 . . . . 0.0 110.708 172.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -52.51 -47.36 66.69 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.132 0.573 . . . . 0.0 110.429 177.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -55.49 -38.37 69.05 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.586 -174.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -66.17 -39.72 89.95 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.866 0.866 . . . . 0.0 111.452 -178.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.41 -51.77 64.4 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.473 HG22 ' NE2' ' A' ' 40' ' ' GLN . 62.6 mt -55.99 -38.19 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-N 114.408 -1.269 . . . . 0.0 110.288 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 52.6 m -63.5 -52.88 59.37 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 124.482 1.113 . . . . 0.0 110.617 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.428 ' HD1' HD12 ' A' ' 39' ' ' LEU . 62.5 t80 -54.45 -46.28 73.26 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.746 0.418 . . . . 0.0 110.385 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.428 HD12 ' HD1' ' A' ' 38' ' ' TYR . 8.4 mp -64.13 -44.03 93.43 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.921 -177.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.473 ' NE2' HG22 ' A' ' 36' ' ' ILE . 1.9 pt20 -77.41 -17.81 57.82 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -81.45 -48.39 11.95 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.45 0.3 . . . . 0.0 110.945 174.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -93.78 -23.59 18.12 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -168.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.403 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . . . -95.03 161.87 13.96 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 120.955 0.407 . . . . 0.0 110.943 175.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -75.91 158.01 32.55 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.616 170.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.17 -31.72 65.69 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.604 0.762 . . . . 0.0 112.204 -171.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.49 -38.66 72.06 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.373 1.069 . . . . 0.0 112.689 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -64.79 -41.71 95.61 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.173 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.494 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.8 mm? -73.69 -29.18 62.13 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.461 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -72.55 -22.73 60.96 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.203 0.601 . . . . 0.0 110.734 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -78.95 -51.3 9.82 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.171 0.588 . . . . 0.0 110.762 174.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -89.13 5.77 43.06 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.11 0.564 . . . . 0.0 112.309 -176.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.455 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 9.9 mmpt? 67.78 22.46 8.85 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.749 1.219 . . . . 0.0 112.057 173.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.494 ' HB2' HD12 ' A' ' 48' ' ' LEU . 18.6 mt -89.5 4.61 48.63 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 124.023 0.929 . . . . 0.0 110.48 176.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.6 t -73.17 -21.23 60.73 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.235 1.014 . . . . 0.0 112.7 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -74.11 -165.43 12.07 Favored Glycine 0 C--N 1.352 1.436 0 O-C-N 123.622 0.576 . . . . 0.0 113.195 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.8 t -77.18 130.2 36.97 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 175.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.533 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.2 m-20 -55.01 -25.76 32.38 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.045 0.938 . . . . 0.0 113.322 -173.329 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -58.72 -52.81 64.13 Favored 'General case' 0 C--O 1.255 1.36 0 C-N-CA 123.644 0.777 . . . . 0.0 110.537 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.4 m -64.55 -34.85 79.2 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.883 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 57' ' ' ASN . 28.6 mt -73.96 -42.16 52.96 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 123.09 0.556 . . . . 0.0 110.674 -176.16 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -74.97 -18.07 60.44 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.621 0.368 . . . . 0.0 111.133 -178.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -86.58 -51.73 5.98 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.968 -0.457 . . . . 0.0 111.377 172.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -77.31 -48.81 16.44 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.079 0.552 . . . . 0.0 111.007 -170.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -84.51 144.15 28.89 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -125.17 -146.13 0.34 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.75 0.82 . . . . 0.0 108.925 -177.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.427 ' HA ' HD13 ' A' ' 25' ' ' LEU . 79.8 m -58.28 -59.4 5.38 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 118.335 0.516 . . . . 0.0 111.748 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.1 m -50.29 -48.7 54.89 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -165.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -62.82 -43.49 98.67 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.041 0.536 . . . . 0.0 111.28 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 mp -73.15 -33.28 65.4 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.989 -176.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.522 HG22 ' HE2' ' A' ' 74' ' ' LYS . 54.5 mt -67.42 -51.35 53.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 177.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.59 -39.76 81.27 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.418 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.3 -45.94 68.38 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.552 0.741 . . . . 0.0 112.627 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -66.41 -42.32 87.96 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 122.584 0.354 . . . . 0.0 110.354 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.522 ' HE2' HG22 ' A' ' 70' ' ' ILE . 56.2 mtmt -58.55 -54.37 47.83 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.318 175.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 31.6 t70 -53.89 -37.7 64.0 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.13 0.972 . . . . 0.0 111.509 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.403 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 8.5 t80 -66.75 -53.84 29.04 Favored 'General case' 0 C--O 1.255 1.388 0 C-N-CA 124.956 1.302 . . . . 0.0 111.825 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 63.8 m -66.66 -36.59 82.91 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.516 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -76.53 -25.98 54.71 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.951 0.9 . . . . 0.0 110.732 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 19.2 t-80 -69.95 -24.7 63.39 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 123.373 0.669 . . . . 0.0 109.926 173.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.71 44.8 2.82 Favored Glycine 0 C--N 1.346 1.113 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.009 169.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.9 t -41.46 138.97 1.17 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.482 1.513 . . . . 0.0 114.897 -168.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -90.18 10.79 23.14 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 114.289 -1.323 . . . . 0.0 111.837 -175.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.453 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 69.3 p -67.29 -15.91 63.96 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.86 0.864 . . . . 0.0 112.69 -176.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.76 10.18 71.46 Favored Glycine 0 C--N 1.346 1.109 0 O-C-N 122.869 0.106 . . . . 0.0 113.327 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.518 HD22 ' HG2' ' A' ' 12' ' ' LYS . 21.1 mt -94.86 44.06 1.1 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.756 0.822 . . . . 0.0 109.355 -178.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -88.14 46.02 1.34 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.203 1.001 . . . . 0.0 109.258 -177.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -148.98 121.68 8.64 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.462 1.105 . . . . 0.0 108.685 -175.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.076 0 CA-C-O 118.924 -0.931 . . . . 0.0 111.079 179.449 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.2 tpp . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 109.73 -0.471 . . . . 0.0 109.73 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -89.96 75.03 7.24 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 175.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -100.96 5.76 43.31 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.962 0.905 . . . . 0.0 111.468 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.7 m -76.34 -1.81 28.61 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.693 0.797 . . . . 0.0 112.025 176.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -60.16 -23.06 63.64 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.891 1.276 . . . . 0.0 112.705 -176.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -65.89 -39.26 90.47 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.016 0.526 . . . . 0.0 111.684 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.408 ' HG3' ' HG2' ' A' ' 8' ' ' LYS . 12.9 pt-20 -94.2 -21.86 18.79 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.071 0.548 . . . . 0.0 110.496 175.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' HG2' ' HG3' ' A' ' 7' ' ' GLU . 13.7 mmmm -110.0 40.91 1.82 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.068 0.947 . . . . 0.0 110.255 -177.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.48 122.47 14.69 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.651 0.78 . . . . 0.0 110.994 -178.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -101.61 141.92 33.75 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 114.565 -1.198 . . . . 0.0 108.795 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 118.13 33.41 1.25 Allowed Glycine 0 N--CA 1.467 0.763 0 N-CA-C 111.324 -0.711 . . . . 0.0 111.324 -169.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -74.66 87.53 2.18 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 123.335 0.654 . . . . 0.0 109.367 173.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.441 ' SD ' ' HD3' ' A' ' 41' ' ' LYS . 8.3 ptm -61.54 147.92 43.85 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.629 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.79 46.15 90.31 Favored Glycine 0 C--N 1.343 0.95 0 N-CA-C 116.126 1.21 . . . . 0.0 116.126 165.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.5 p -82.26 83.44 7.41 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 172.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 -91.72 165.37 13.33 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.17 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.427 ' HA ' ' HA2' ' A' ' 88' ' ' GLY . 22.5 m -82.51 160.95 22.52 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 166.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.432 HG23 ' HG2' ' A' ' 74' ' ' LYS . 45.7 mm -59.1 -46.55 91.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 122.854 0.461 . . . . 0.0 110.781 -178.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.614 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 49.0 mt-10 -70.99 -25.6 62.77 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.741 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -66.21 -49.37 67.51 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 172.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.3 t -55.36 -57.33 7.75 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.58 0 C-N-CA 123.49 0.716 . . . . 0.0 110.704 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.614 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 13.5 pt-20 -65.51 -44.9 85.57 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -172.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -77.59 -25.04 49.59 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.609 0.363 . . . . 0.0 111.786 -173.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -103.45 -6.23 22.06 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 118.897 -0.573 . . . . 0.0 111.94 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.482 HD22 ' HG2' ' A' ' 32' ' ' LYS . 5.8 mt -61.97 114.07 3.17 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 118.784 0.72 . . . . 0.0 110.247 175.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.17 -6.06 32.16 Favored Glycine 0 CA--C 1.527 0.836 0 CA-C-N 115.701 -0.681 . . . . 0.0 113.334 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.4 p -92.65 168.09 11.46 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 117.216 0.508 . . . . 0.0 110.259 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.27 -28.29 69.62 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.422 0.689 . . . . 0.0 110.9 175.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -71.95 -43.91 64.46 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.439 1.096 . . . . 0.0 110.387 -177.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -134.68 88.97 27.02 Favored Pre-proline 0 CA--C 1.547 0.853 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.29 150.84 59.61 Favored 'Trans proline' 0 C--N 1.369 1.625 0 C-N-CA 122.088 1.859 . . . . 0.0 111.644 174.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.482 ' HG2' HD22 ' A' ' 25' ' ' LEU . 55.9 mtmt -56.33 -36.62 68.93 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.711 0.804 . . . . 0.0 110.72 175.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -48.47 -55.59 10.53 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.173 0.989 . . . . 0.0 111.701 173.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -65.28 -36.26 83.54 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.309 1.044 . . . . 0.0 111.991 -172.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.474 HD12 ' HB3' ' A' ' 69' ' ' LEU . 3.4 tm? -61.56 -57.3 12.62 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.421 0.629 . . . . 0.0 109.46 175.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.3 mt -58.76 -36.74 62.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.571 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 53.9 m -59.8 -48.44 81.67 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.318 1.047 . . . . 0.0 110.679 176.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.499 ' HD1' HD12 ' A' ' 39' ' ' LEU . 48.5 t80 -53.89 -52.27 61.04 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.325 0.65 . . . . 0.0 110.03 177.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.499 HD12 ' HD1' ' A' ' 38' ' ' TYR . 10.2 mp -62.86 -40.15 96.61 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.132 -175.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.43 ' HA ' HD21 ' A' ' 48' ' ' LEU . 10.2 pt20 -79.02 -17.62 55.0 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 121.82 -0.55 . . . . 0.0 112.034 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HD3' ' SD ' ' A' ' 13' ' ' MET . 59.6 mtpt -77.68 -49.62 14.12 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.344 0.257 . . . . 0.0 110.749 172.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -85.59 -46.3 10.94 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -172.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.41 162.74 27.61 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.145 0.498 . . . . 0.0 112.254 -178.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -82.31 161.48 22.6 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.068 173.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.58 -35.49 20.9 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.646 1.178 . . . . 0.0 112.745 -175.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.61 81.28 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.086 0.954 . . . . 0.0 112.75 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -71.61 -34.26 69.69 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.087 0.555 . . . . 0.0 110.619 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.497 HD12 ' HB2' ' A' ' 53' ' ' LEU . 2.3 mm? -73.93 -34.96 64.54 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.325 176.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -65.98 -32.29 73.68 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 120.798 0.332 . . . . 0.0 110.236 172.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -65.46 -53.47 42.32 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.268 1.027 . . . . 0.0 110.524 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -95.46 14.04 23.96 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -174.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.426 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 11.5 mmpt? 68.74 20.66 8.07 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 124.752 1.221 . . . . 0.0 111.786 174.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.497 ' HB2' HD12 ' A' ' 48' ' ' LEU . 13.6 mt -92.93 11.42 27.35 Favored 'General case' 0 CA--C 1.564 1.496 0 C-N-CA 124.439 1.095 . . . . 0.0 111.241 178.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.6 t -75.31 -22.55 57.61 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -81.14 -162.11 27.97 Favored Glycine 0 N--CA 1.475 1.292 0 CA-C-O 120.385 -0.119 . . . . 0.0 113.15 -177.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.3 t -71.59 126.79 30.61 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 176.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.571 ' HA ' HD12 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -53.94 -30.19 45.54 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.453 1.101 . . . . 0.0 111.683 -172.828 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -58.19 -53.9 53.07 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.172 0.989 . . . . 0.0 111.775 174.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.4 t -69.97 -27.19 64.52 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.943 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 57' ' ' ASN . 57.9 mt -71.95 -49.37 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 122.403 0.281 . . . . 0.0 110.533 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -64.92 -32.05 73.58 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.318 0.247 . . . . 0.0 110.992 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -81.14 -38.01 27.88 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -94.55 -42.47 8.8 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 122.241 -0.287 . . . . 0.0 111.698 -172.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.417 ' HA ' ' NE ' ' A' ' 64' ' ' ARG . 14.8 mmp_? -75.79 137.87 40.81 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 121.104 0.478 . . . . 0.0 110.734 -177.194 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -75.55 154.74 36.62 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 114.583 -1.189 . . . . 0.0 109.576 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.417 ' O ' HG13 ' A' ' 70' ' ' ILE . 26.0 p -58.65 -36.29 73.88 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.373 0.669 . . . . 0.0 111.211 -178.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.8 m -59.36 -36.69 76.2 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.576 0.75 . . . . 0.0 112.249 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -61.73 -42.51 99.05 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 122.893 0.477 . . . . 0.0 110.525 173.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.474 ' HB3' HD12 ' A' ' 35' ' ' LEU . 54.2 mt -75.33 -35.49 61.2 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.359 1.064 . . . . 0.0 111.306 -173.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.469 ' O ' ' HG3' ' A' ' 74' ' ' LYS . 63.7 mt -66.05 -58.43 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 176.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.83 -33.09 66.42 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 124.424 1.078 . . . . 0.0 111.756 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.18 -53.48 56.4 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.536 0.734 . . . . 0.0 111.933 173.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -64.33 -39.15 93.33 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 122.796 0.439 . . . . 0.0 110.933 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 70' ' ' ILE . 56.0 mtpt -59.4 -55.34 35.97 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.526 0.73 . . . . 0.0 110.072 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.17 -35.4 75.28 Favored 'General case' 0 C--O 1.204 -1.326 0 CA-C-N 114.673 -1.149 . . . . 0.0 110.257 -176.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.2 -58.74 6.63 Favored 'General case' 0 C--O 1.256 1.444 0 C-N-CA 123.96 0.904 . . . . 0.0 110.795 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 74.7 m -59.59 -35.86 75.14 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.094 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -79.38 -37.03 38.29 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.59 0.756 . . . . 0.0 111.767 -178.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -78.95 -9.53 59.54 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 123.495 0.718 . . . . 0.0 111.063 -176.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.6 49.44 0.97 Allowed Glycine 0 C--N 1.352 1.446 0 C-N-CA 120.085 -1.055 . . . . 0.0 112.91 175.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.0 t -40.36 140.29 0.65 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.067 1.347 . . . . 0.0 113.628 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -71.27 -6.48 40.06 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.179 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.8 m -64.67 -24.88 67.72 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.388 0.675 . . . . 0.0 110.731 168.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.31 16.81 79.7 Favored Glycine 0 C--N 1.356 1.688 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.029 -173.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.5 mt -120.09 88.73 2.99 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 123.914 0.886 . . . . 0.0 109.163 -172.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -81.82 10.08 6.92 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.821 0.849 . . . . 0.0 111.559 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -75.76 138.84 41.49 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 123.978 0.911 . . . . 0.0 110.168 178.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.427 ' HA2' ' HA ' ' A' ' 17' ' ' SER . . . . . . . . 0 C--O 1.253 1.292 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.577 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -147.29 102.57 3.49 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.248 0.619 . . . . 0.0 109.591 173.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -78.98 -16.3 57.1 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.281 1.032 . . . . 0.0 110.935 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.7 t -68.29 -13.69 62.45 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.742 0.817 . . . . 0.0 111.315 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.534 ' HA ' ' HB2' ' A' ' 8' ' ' LYS . 26.6 t70 -66.62 -13.54 61.28 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 123.914 0.886 . . . . 0.0 111.125 173.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 5.0 ttmp? -63.84 -43.3 96.57 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.034 0.934 . . . . 0.0 111.178 173.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.602 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 13.7 pt-20 -88.3 -10.45 49.53 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.381 0.273 . . . . 0.0 110.952 177.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.534 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 31.0 mmmt -102.63 21.92 14.52 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.891 0.876 . . . . 0.0 110.614 173.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -70.94 162.11 29.91 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.305 1.042 . . . . 0.0 111.788 -173.353 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -57.23 127.1 30.26 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.961 0.905 . . . . 0.0 110.864 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.43 -56.46 3.72 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.389 0.995 . . . . 0.0 113.436 -176.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.416 ' HE3' ' OD1' ' A' ' 42' ' ' ASN . 14.0 mmmm -90.44 87.12 6.65 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-O 121.41 0.624 . . . . 0.0 111.616 177.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.75 173.44 10.64 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 170.151 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.44 26.58 67.53 Favored Glycine 0 C--N 1.338 0.668 0 N-CA-C 114.118 0.407 . . . . 0.0 114.118 172.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.602 ' SG ' ' HB2' ' A' ' 7' ' ' GLU . 14.7 p -80.31 91.27 5.62 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 174.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -99.49 178.98 4.71 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.303 0.641 . . . . 0.0 110.672 -177.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.3 m -98.85 168.95 9.8 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.591 0.756 . . . . 0.0 109.231 168.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.577 HD12 ' HG2' ' A' ' 74' ' ' LYS . 49.3 mm -57.57 -44.22 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 123.653 0.781 . . . . 0.0 110.234 178.366 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.605 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 44.5 mt-10 -71.73 -33.89 69.1 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.384 -175.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -63.89 -45.48 89.17 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 175.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.8 t -56.14 -60.36 1.91 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.482 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.115 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.605 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 10.7 pt-20 -64.08 -42.79 96.84 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -171.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -76.25 -37.0 58.21 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.958 0.503 . . . . 0.0 111.769 -173.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -92.09 -10.44 38.99 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-O 119.165 -0.445 . . . . 0.0 111.472 -177.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.408 HD13 ' HB2' ' A' ' 66' ' ' CYS . 5.4 mt -59.17 113.44 2.13 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 118.259 0.481 . . . . 0.0 111.555 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.23 -27.54 6.65 Favored Glycine 0 C--N 1.343 0.931 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.917 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.1 p -79.28 176.84 9.31 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.062 0.545 . . . . 0.0 110.22 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -77.07 -22.28 53.09 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 172.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -59.2 -50.6 73.4 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.079 0.551 . . . . 0.0 110.085 174.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -138.86 82.97 19.49 Favored Pre-proline 0 N--CA 1.473 0.688 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.389 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.454 ' HG2' ' HB2' ' A' ' 34' ' ' ASP . 36.5 Cg_endo -67.92 155.12 70.95 Favored 'Trans proline' 0 C--N 1.369 1.609 0 C-N-CA 121.953 1.768 . . . . 0.0 111.117 173.066 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -54.57 -46.01 73.61 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.406 0.682 . . . . 0.0 110.8 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -53.47 -40.57 65.4 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.668 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.454 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 38.8 t70 -72.47 -33.86 67.31 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.321 0.648 . . . . 0.0 111.69 -173.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.57 -47.98 73.95 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 174.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.3 mt -57.68 -40.36 74.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.388 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 63.7 m -63.05 -49.96 72.5 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.279 1.032 . . . . 0.0 110.879 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -58.08 -44.22 87.43 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.975 0.51 . . . . 0.0 110.601 178.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.42 -41.8 98.7 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.012 0.525 . . . . 0.0 111.657 -178.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.436 ' HA ' HD21 ' A' ' 48' ' ' LEU . 8.8 pt20 -77.81 -18.13 56.7 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 122.139 -0.351 . . . . 0.0 111.818 179.07 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -78.69 -48.78 14.3 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 122.41 0.284 . . . . 0.0 111.123 172.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.416 ' OD1' ' HE3' ' A' ' 12' ' ' LYS . 22.0 m-80 -88.39 -46.72 8.93 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.146 0.578 . . . . 0.0 112.408 -170.168 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.15 163.37 25.9 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 122.635 0.374 . . . . 0.0 111.49 -177.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -76.97 159.39 29.98 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.229 172.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.0 -32.79 64.27 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.691 0.796 . . . . 0.0 112.034 -175.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.51 -41.56 66.46 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.413 1.085 . . . . 0.0 112.156 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -66.22 -42.1 89.15 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.222 -177.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.495 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.8 mm? -73.14 -28.77 62.43 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.463 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -77.53 -21.26 52.91 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.017 0.527 . . . . 0.0 111.02 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -77.3 -50.13 13.5 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.617 0.767 . . . . 0.0 109.965 174.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -91.39 8.3 36.89 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.556 0.743 . . . . 0.0 111.649 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm 59.59 23.71 12.45 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 124.766 1.226 . . . . 0.0 112.323 174.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.495 ' HB2' HD12 ' A' ' 48' ' ' LEU . 22.9 mt -82.6 1.47 38.02 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 124.288 1.035 . . . . 0.0 109.887 174.058 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.5 t -69.76 -13.85 62.49 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.009 1.323 . . . . 0.0 112.359 175.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.97 -168.66 37.74 Favored Glycine 0 C--N 1.352 1.421 0 O-C-N 122.934 0.146 . . . . 0.0 113.027 178.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.7 t -77.25 131.2 38.07 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 173.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.549 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.5 m-20 -56.32 -25.54 49.16 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.595 0.758 . . . . 0.0 112.847 -174.149 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.1 ttmp? -59.44 -55.03 39.76 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 123.678 0.611 . . . . 0.0 110.418 175.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.5 m -66.6 -35.36 80.0 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.083 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' A' ' 57' ' ' ASN . 60.2 mt -65.14 -53.59 39.11 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 O-C-N 123.583 0.552 . . . . 0.0 111.293 -178.212 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -69.24 -27.36 65.38 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 117.655 0.207 . . . . 0.0 111.062 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -73.05 -46.65 50.54 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.144 0.577 . . . . 0.0 110.856 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -88.52 -45.95 9.5 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.658 0.783 . . . . 0.0 111.208 -172.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.497 ' HD3' HG23 ' A' ' 60' ' ' ILE . 74.1 mtp85 -90.37 151.33 21.49 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.614 0.766 . . . . 0.0 110.151 -179.211 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -103.87 169.86 8.26 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.103 -176.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.485 ' O ' HG13 ' A' ' 70' ' ' ILE . 28.2 p -59.81 -29.45 68.25 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.528 0.731 . . . . 0.0 111.182 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.0 m -50.82 -45.33 59.41 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.453 1.101 . . . . 0.0 112.252 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -66.09 -37.76 86.58 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.964 0.906 . . . . 0.0 111.541 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.5 mp -72.04 -33.85 68.33 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.37 1.068 . . . . 0.0 111.777 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 66' ' ' CYS . 32.3 mt -68.88 -48.11 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 175.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.62 -37.47 75.94 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.342 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.3 -44.6 67.99 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.656 0.782 . . . . 0.0 112.036 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -67.51 -38.48 84.35 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -178.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.577 ' HG2' HD12 ' A' ' 18' ' ' ILE . 55.9 mtmt -61.4 -51.71 67.6 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.376 173.263 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -59.92 -31.95 70.31 Favored 'General case' 0 C--O 1.201 -1.462 0 O-C-N 123.642 0.589 . . . . 0.0 111.132 -177.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -67.58 -53.66 26.33 Favored 'General case' 0 C--O 1.253 1.267 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 175.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 42.7 t -60.14 -32.07 70.67 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 114.679 -1.146 . . . . 0.0 112.077 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 27.4 mm-40 -89.51 -36.99 15.07 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.69 0.796 . . . . 0.0 111.256 -176.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -81.06 2.88 25.25 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 123.6 0.76 . . . . 0.0 110.95 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.27 47.37 1.33 Allowed Glycine 0 C--N 1.353 1.513 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.842 166.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.509 HG21 ' HB2' ' A' ' 85' ' ' LEU . 1.6 t -39.55 121.95 1.29 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.454 1.502 . . . . 0.0 113.967 -172.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -80.1 6.58 11.21 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.667 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.1 t -74.7 -15.91 60.77 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 123.144 0.578 . . . . 0.0 109.546 162.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.02 23.88 54.05 Favored Glycine 0 C--N 1.353 1.505 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.981 177.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.509 ' HB2' HG21 ' A' ' 81' ' ' THR . 71.7 mt -81.27 80.6 7.66 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 122.731 0.412 . . . . 0.0 109.952 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -87.53 73.52 9.46 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 169.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -73.47 132.07 42.51 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 114.695 -1.139 . . . . 0.0 109.903 -174.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.132 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 -175.195 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptm . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 120.81 0.338 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -98.29 144.75 27.37 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.989 0.915 . . . . 0.0 108.896 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -100.5 -41.63 6.91 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.396 0.678 . . . . 0.0 110.904 176.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.6 m -62.9 -21.89 66.34 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.204 1.002 . . . . 0.0 113.284 -170.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -77.37 10.94 2.18 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.057 0.943 . . . . 0.0 112.54 -178.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -67.99 -40.57 83.05 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.55 0.74 . . . . 0.0 109.69 178.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -135.87 -26.01 1.22 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.214 1.006 . . . . 0.0 111.174 -178.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -86.83 69.45 10.29 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 177.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -101.81 145.55 29.02 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 114.623 -1.171 . . . . 0.0 110.98 -176.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -90.37 152.15 21.13 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.859 0.864 . . . . 0.0 109.773 -178.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.23 -51.52 4.24 Favored Glycine 0 C--N 1.342 0.904 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 -175.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -85.21 85.18 7.48 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 170.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.6 ptm -95.31 113.83 25.54 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 114.398 -1.274 . . . . 0.0 110.092 -177.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 54.99 47.78 70.94 Favored Glycine 0 C--N 1.348 1.21 0 O-C-N 123.564 0.54 . . . . 0.0 114.439 169.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.2 m -88.45 95.02 10.05 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 175.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.413 ' CE2' HD21 ' A' ' 30' ' ' LEU . 3.5 m-90 -97.97 179.37 4.81 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-O 121.505 0.669 . . . . 0.0 111.325 -173.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.7 m -92.54 163.62 13.75 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.006 166.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.571 HD12 ' HG2' ' A' ' 74' ' ' LYS . 50.5 mm -60.02 -46.14 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.383 0.673 . . . . 0.0 110.997 -177.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.525 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 1.2 tt0 -69.44 -35.02 75.28 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.338 -175.142 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -59.15 -45.5 90.8 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.3 t -55.57 -63.37 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.469 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.525 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 11.3 pt-20 -62.63 -44.34 96.53 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -171.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -73.17 -35.39 66.41 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.985 0.514 . . . . 0.0 111.248 -173.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -97.8 -6.56 32.43 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-O 119.173 -0.441 . . . . 0.0 111.986 -176.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.437 HD22 ' HG2' ' A' ' 32' ' ' LYS . 6.8 mt -60.92 121.48 12.48 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-N 118.508 0.595 . . . . 0.0 111.855 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.81 -0.87 55.26 Favored Glycine 0 C--N 1.344 0.987 0 CA-C-N 115.572 -0.74 . . . . 0.0 113.207 178.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.5 p -98.09 -177.86 3.87 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 117.5 0.65 . . . . 0.0 110.411 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -71.99 -22.16 61.46 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.262 0.625 . . . . 0.0 110.32 171.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -76.19 -50.62 14.03 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.789 0.836 . . . . 0.0 110.195 -175.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.413 HD21 ' CE2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -130.82 87.27 49.77 Favored Pre-proline 0 N--CA 1.476 0.838 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 176.17 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -68.33 145.86 67.1 Favored 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 121.954 1.769 . . . . 0.0 110.909 173.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.586 ' HD3' ' SG ' ' A' ' 66' ' ' CYS . 49.7 mtmt -56.35 -38.18 71.02 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.596 0.759 . . . . 0.0 111.859 -177.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.408 ' HB2' ' HD3' ' A' ' 61' ' ' ARG . 2.2 t30 -55.8 -44.83 78.2 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 124.069 0.856 . . . . 0.0 110.803 -178.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -70.32 -30.18 67.09 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.739 0.815 . . . . 0.0 111.71 -173.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.11 -50.83 60.13 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 175.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.441 HD13 HG22 ' A' ' 60' ' ' ILE . 46.9 mt -61.12 -38.03 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.631 178.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 56.7 m -56.84 -51.35 69.34 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.656 1.183 . . . . 0.0 109.726 177.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -53.9 -49.19 69.15 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.999 0.812 . . . . 0.0 110.379 176.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.23 -43.01 99.79 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.832 -175.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.41 ' HA ' HD21 ' A' ' 48' ' ' LEU . 9.7 pt20 -80.55 -19.28 46.04 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.705 -0.622 . . . . 0.0 112.211 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -82.33 -40.13 21.86 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.513 0.325 . . . . 0.0 111.505 174.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -94.38 -23.7 17.67 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.446 0.698 . . . . 0.0 112.324 -171.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -107.9 174.08 6.04 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -175.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.434 ' O ' HD22 ' A' ' 48' ' ' LEU . 5.6 m-20 -90.88 162.56 14.74 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.787 1.235 . . . . 0.0 110.753 -177.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.24 -35.89 67.9 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.342 0.657 . . . . 0.0 111.827 -177.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.33 -41.06 75.44 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.017 0.927 . . . . 0.0 111.657 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -65.29 -45.4 84.57 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.519 -177.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.434 HD22 ' O ' ' A' ' 44' ' ' ASP . 1.5 mm? -69.91 -42.76 72.91 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.838 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.64 -24.51 67.05 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.063 0.545 . . . . 0.0 111.21 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -74.14 -53.87 8.97 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.631 0.773 . . . . 0.0 110.327 173.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -86.3 10.21 15.51 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.428 0.691 . . . . 0.0 112.59 -174.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt 66.48 22.78 10.6 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.779 1.231 . . . . 0.0 111.091 173.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.416 ' HB2' HD12 ' A' ' 48' ' ' LEU . 28.1 mt -95.47 15.65 19.1 Favored 'General case' 0 CA--C 1.56 1.336 0 C-N-CA 125.053 1.341 . . . . 0.0 111.93 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.3 t -81.94 -9.46 59.57 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 -174.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -87.36 -147.75 12.73 Favored Glycine 0 N--CA 1.48 1.622 0 CA-C-N 117.603 0.183 . . . . 0.0 113.158 -178.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.3 t -90.1 128.7 36.38 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 176.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -56.32 -27.1 54.6 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 124.25 1.02 . . . . 0.0 112.284 -169.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -62.88 -53.87 47.52 Favored 'General case' 0 C--O 1.249 1.046 0 C-N-CA 123.577 0.751 . . . . 0.0 110.916 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 m -68.46 -33.44 74.18 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.533 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.441 HG22 HD13 ' A' ' 36' ' ' ILE . 85.4 mt -65.55 -44.33 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 122.881 0.472 . . . . 0.0 111.076 -178.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.408 ' HD3' ' HB2' ' A' ' 33' ' ' ASN . 20.9 ptt85 -69.2 -32.49 71.8 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 121.848 -0.533 . . . . 0.0 109.889 176.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -72.58 -30.32 64.29 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 123.238 0.615 . . . . 0.0 112.477 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -103.83 -48.13 4.01 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.872 0.469 . . . . 0.0 111.466 -174.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.465 ' NH2' ' HG3' ' A' ' 68' ' ' GLN . 18.3 mmm180 -76.38 140.12 41.24 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -175.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -85.21 156.92 20.78 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.645 -175.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.586 ' SG ' ' HD3' ' A' ' 32' ' ' LYS . 87.4 m -56.74 -39.56 74.17 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.398 0.679 . . . . 0.0 110.661 177.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.486 ' HA ' HD12 ' A' ' 70' ' ' ILE . 16.3 m -54.91 -38.02 67.1 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.424 1.09 . . . . 0.0 111.944 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.465 ' HG3' ' NH2' ' A' ' 64' ' ' ARG . 1.2 tm0? -65.55 -46.56 79.05 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.773 0.829 . . . . 0.0 110.3 176.088 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.8 mp -64.41 -35.84 82.21 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.788 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 67' ' ' SER . 32.7 mt -67.02 -50.16 66.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 176.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.88 -33.24 70.27 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.114 0.966 . . . . 0.0 111.786 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.65 -46.59 37.1 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.519 0.728 . . . . 0.0 110.915 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -65.72 -38.23 88.6 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.724 0.41 . . . . 0.0 110.251 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.571 ' HG2' HD12 ' A' ' 18' ' ' ILE . 58.9 mtmt -62.56 -56.48 17.56 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.26 0.624 . . . . 0.0 109.558 175.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -50.25 -40.86 49.16 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.981 0.913 . . . . 0.0 111.315 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -67.35 -46.87 72.1 Favored 'General case' 0 C--O 1.25 1.105 0 C-N-CA 124.346 1.059 . . . . 0.0 111.485 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 43.5 t -62.76 -36.09 81.92 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.417 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 11.9 mm-40 -84.07 -24.87 30.21 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.9 0.88 . . . . 0.0 110.46 -177.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -68.22 -23.21 64.79 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.485 0.714 . . . . 0.0 110.151 168.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.36 43.12 5.65 Favored Glycine 0 C--N 1.348 1.24 0 N-CA-C 112.017 -0.433 . . . . 0.0 112.017 169.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.5 t -43.69 122.08 2.59 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.718 1.207 . . . . 0.0 113.292 -174.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -98.62 26.58 5.47 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.554 -177.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.7 t -88.27 63.27 7.09 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 173.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 94.37 -39.93 2.82 Favored Glycine 0 C--N 1.346 1.111 0 CA-C-N 115.165 -0.925 . . . . 0.0 113.393 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.54 -70.17 0.27 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.392 0.677 . . . . 0.0 111.241 -174.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -88.71 73.54 8.5 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -106.12 114.78 29.13 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.192 0 CA-C-O 119.055 -0.859 . . . . 0.0 111.821 179.124 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.1 ttm . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -98.96 85.41 3.26 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 173.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -102.26 -28.7 12.12 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.478 0.711 . . . . 0.0 111.07 177.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.7 t -90.52 -4.4 56.94 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.575 0.75 . . . . 0.0 112.554 -171.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -97.43 -12.59 22.54 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -171.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.489 ' HD2' ' N ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -58.35 -27.43 64.17 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -179.542 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.489 ' N ' ' HD2' ' A' ' 6' ' ' LYS . 10.4 pt-20 -83.74 -23.21 31.68 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.811 1.244 . . . . 0.0 111.305 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -119.86 32.18 6.18 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.0 1.32 . . . . 0.0 108.374 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -71.49 150.99 44.33 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.307 -173.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -71.03 157.91 37.4 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.922 0.889 . . . . 0.0 110.625 174.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.52 38.51 10.69 Favored Glycine 0 C--N 1.339 0.749 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 -168.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.529 ' HB3' HD11 ' A' ' 85' ' ' LEU . 54.1 mttm -70.77 86.95 0.69 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.547 1.139 . . . . 0.0 110.44 -172.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.61 173.84 9.28 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.093 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.96 13.0 83.85 Favored Glycine 0 C--N 1.339 0.733 0 N-CA-C 114.821 0.688 . . . . 0.0 114.821 169.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.455 ' HB2' HD13 ' A' ' 85' ' ' LEU . 44.6 t -84.93 95.5 9.06 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 172.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 -102.03 165.87 10.93 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.282 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.4 m -71.13 152.82 43.06 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 166.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.629 HD12 ' HG2' ' A' ' 74' ' ' LYS . 50.3 mm -56.66 -41.39 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 122.948 0.499 . . . . 0.0 109.695 175.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.575 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 38.1 mt-10 -69.55 -34.79 74.7 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.863 178.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -64.68 -45.01 88.5 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 176.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.5 t -56.39 -59.75 2.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 O-C-N 124.216 0.947 . . . . 0.0 110.08 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.575 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 13.1 pt-20 -65.76 -37.75 87.21 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -171.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -83.75 -24.64 31.04 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.777 0.431 . . . . 0.0 111.966 -173.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -101.56 -8.53 21.8 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 25' ' ' LEU . 7.1 mt -64.86 115.72 5.62 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 118.608 0.64 . . . . 0.0 110.015 177.104 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.6 -17.36 12.23 Favored Glycine 0 C--N 1.338 0.647 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.152 -177.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.2 p -82.58 177.11 8.88 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 173.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -84.92 -13.43 50.83 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.04 0.536 . . . . 0.0 110.431 171.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -78.45 -40.57 35.29 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.84 0.856 . . . . 0.0 110.483 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.69 79.29 64.65 Favored Pre-proline 0 C--O 1.241 0.64 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 170.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.95 154.25 63.11 Favored 'Trans proline' 0 C--N 1.371 1.714 0 C-N-CA 121.767 1.644 . . . . 0.0 111.4 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -58.12 -38.89 77.39 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.343 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -49.81 -51.12 42.08 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.597 1.159 . . . . 0.0 111.109 173.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -66.81 -36.77 83.13 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.072 0.949 . . . . 0.0 111.723 -172.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.49 HD12 ' HB3' ' A' ' 69' ' ' LEU . 2.8 tm? -63.2 -51.45 66.29 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.46 HG23 ' HB3' ' A' ' 53' ' ' LEU . 71.4 mt -59.34 -37.61 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.74 178.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.5 m -62.16 -52.28 64.44 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 124.09 0.869 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.429 ' HD1' HD12 ' A' ' 39' ' ' LEU . 36.8 t80 -55.61 -46.58 77.32 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.065 0.546 . . . . 0.0 110.273 177.02 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.429 HD12 ' HD1' ' A' ' 38' ' ' TYR . 6.3 mp -58.91 -44.14 91.2 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.509 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.441 ' HA ' HD21 ' A' ' 48' ' ' LEU . 1.6 pt20 -79.3 -19.39 50.55 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -74.06 -49.44 24.13 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.11 0.481 . . . . 0.0 110.333 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -93.09 -24.82 18.16 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.685 -167.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.45 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . . . -88.89 173.75 8.33 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.409 0.623 . . . . 0.0 112.353 176.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -87.9 157.38 18.98 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 114.666 -1.152 . . . . 0.0 108.766 169.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.21 -29.73 47.35 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.759 0.823 . . . . 0.0 112.246 -174.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.86 -43.0 80.75 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.791 1.236 . . . . 0.0 112.388 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -64.05 -40.4 96.22 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.767 0.827 . . . . 0.0 110.424 -177.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.473 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.4 mm? -76.61 -29.12 56.39 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.677 -178.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -70.26 -29.39 66.17 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 122.672 0.389 . . . . 0.0 110.563 173.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -70.53 -59.19 2.98 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.66 0.784 . . . . 0.0 110.729 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -81.48 1.19 34.43 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.614 0.766 . . . . 0.0 112.335 -177.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? 69.12 24.03 6.25 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 124.731 1.213 . . . . 0.0 111.619 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.473 ' HB2' HD12 ' A' ' 48' ' ' LEU . 16.5 mt -86.84 6.02 33.82 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 124.334 1.054 . . . . 0.0 111.246 177.02 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.4 t -78.97 -13.19 59.94 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 123.768 0.827 . . . . 0.0 112.765 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.86 -155.39 10.36 Favored Glycine 0 C--N 1.354 1.555 0 C-N-CA 122.495 0.093 . . . . 0.0 113.119 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.405 ' O ' HG13 ' A' ' 60' ' ' ILE . 9.8 t -85.29 132.65 34.23 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 173.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.514 ' HA ' HD12 ' A' ' 60' ' ' ILE . 16.2 m120 -51.99 -32.27 33.04 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.469 1.108 . . . . 0.0 113.064 -171.15 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -59.47 -55.04 39.63 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.837 0.855 . . . . 0.0 110.865 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.9 m -69.58 -33.48 72.78 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.423 -176.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 57' ' ' ASN . 49.9 mt -65.22 -52.32 54.1 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.093 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.661 -179.036 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -68.82 -27.79 66.16 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.376 0.27 . . . . 0.0 110.922 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -65.38 -44.4 87.68 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.488 0.715 . . . . 0.0 110.325 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -87.02 -53.21 5.0 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 121.109 0.481 . . . . 0.0 111.058 -177.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -84.88 103.41 13.92 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.12 0.968 . . . . 0.0 108.536 -177.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -70.67 172.59 8.41 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.963 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.484 ' O ' HG13 ' A' ' 70' ' ' ILE . 75.5 m -50.96 -40.67 58.22 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.785 -1.098 . . . . 0.0 112.545 -176.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.454 ' HA ' HD12 ' A' ' 70' ' ' ILE . 12.6 m -52.02 -46.98 65.21 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.564 1.146 . . . . 0.0 112.251 -177.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -65.42 -38.3 89.51 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.348 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.49 ' HB3' HD12 ' A' ' 35' ' ' LEU . 58.1 mt -74.84 -24.71 58.64 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.575 -177.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 66' ' ' CYS . 62.2 mt -70.29 -50.9 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 172.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.43 -34.06 73.43 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.352 177.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.88 -47.8 61.2 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.65 0.78 . . . . 0.0 111.956 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -66.4 -38.96 88.66 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 122.835 0.454 . . . . 0.0 110.477 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.629 ' HG2' HD12 ' A' ' 18' ' ' ILE . 55.7 mtmt -61.63 -54.95 36.01 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 175.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 20.2 t70 -52.88 -36.34 59.12 Favored 'General case' 0 C--O 1.204 -1.322 0 O-C-N 124.205 0.941 . . . . 0.0 110.928 -179.01 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.45 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 7.3 t80 -66.8 -51.94 49.78 Favored 'General case' 0 C--O 1.258 1.536 0 C-N-CA 125.091 1.356 . . . . 0.0 111.653 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 86' ' ' ASN . 41.5 t -63.57 -36.31 83.38 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.318 178.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 13.6 mm-40 -82.07 -24.37 35.29 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.017 0.927 . . . . 0.0 110.714 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.425 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 36.2 t-80 -66.98 -32.28 73.41 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.927 0.891 . . . . 0.0 109.781 174.15 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.651 ' HA2' HD21 ' A' ' 86' ' ' ASN . . . 101.98 44.26 1.94 Allowed Glycine 0 C--N 1.346 1.127 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.866 176.282 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.2 t -43.38 139.18 2.09 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.844 1.258 . . . . 0.0 113.536 -173.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -61.05 -21.03 63.25 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.798 1.239 . . . . 0.0 112.315 -178.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.2 m -59.08 -29.14 67.12 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.479 1.112 . . . . 0.0 111.382 177.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.21 24.38 77.07 Favored Glycine 0 C--N 1.351 1.415 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.174 -174.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.529 HD11 ' HB3' ' A' ' 12' ' ' LYS . 85.1 mt -103.61 35.01 2.74 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.938 0.895 . . . . 0.0 110.498 -175.117 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.651 HD21 ' HA2' ' A' ' 80' ' ' GLY . 1.5 m-20 -71.38 105.33 3.49 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 173.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -128.87 103.81 7.25 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 -172.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.267 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.685 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -130.37 62.09 1.59 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 167.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -101.35 4.47 41.57 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.151 0.58 . . . . 0.0 111.664 -178.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.5 t -72.02 -23.84 61.46 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.764 0.825 . . . . 0.0 110.621 -179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -61.94 -34.84 76.84 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.222 1.009 . . . . 0.0 112.1 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -78.55 8.67 4.89 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.597 0.759 . . . . 0.0 112.701 -176.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -132.05 -46.61 0.93 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.794 0.838 . . . . 0.0 110.794 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -81.4 -50.78 9.06 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.608 0.763 . . . . 0.0 109.882 -173.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -74.88 141.37 44.18 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 170.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -63.81 154.8 32.36 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.512 0.725 . . . . 0.0 111.346 -171.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.22 19.1 15.16 Favored Glycine 0 N--CA 1.471 1.019 0 N-CA-C 111.667 -0.573 . . . . 0.0 111.667 -171.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.525 ' H ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -63.11 128.54 36.31 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 124.029 0.932 . . . . 0.0 109.83 175.538 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.46 147.11 22.59 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.792 0.837 . . . . 0.0 110.926 -173.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.33 39.35 31.38 Favored Glycine 0 C--N 1.334 0.431 0 CA-C-N 116.183 -0.462 . . . . 0.0 113.878 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.1 p -91.5 107.66 19.36 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 169.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -114.23 167.04 11.04 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.422 0.689 . . . . 0.0 110.648 -172.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.3 m -76.23 158.88 31.17 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 166.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.43 HD12 ' HG2' ' A' ' 74' ' ' LYS . 49.0 mm -55.06 -44.14 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 123.054 0.542 . . . . 0.0 110.199 175.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.556 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 38.5 mt-10 -66.86 -38.59 86.64 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.377 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -63.73 -44.54 93.24 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 176.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.3 t -55.01 -60.97 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.487 0.715 . . . . 0.0 110.089 176.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.556 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.8 pt-20 -63.17 -46.52 86.72 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.346 0.658 . . . . 0.0 112.715 -169.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -71.83 -41.79 67.73 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 122.971 0.508 . . . . 0.0 110.826 -173.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -90.43 -8.84 49.52 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 119.004 -0.522 . . . . 0.0 111.507 -173.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mt -57.18 125.41 22.6 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 122.899 0.48 . . . . 0.0 111.565 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.9 -3.94 52.65 Favored Glycine 0 C--N 1.345 1.056 0 CA-C-N 115.504 -0.771 . . . . 0.0 113.207 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.2 p -100.19 -173.48 2.44 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 117.338 0.569 . . . . 0.0 110.383 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -79.72 -26.27 40.9 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.908 0.483 . . . . 0.0 110.223 170.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -63.1 -53.19 57.49 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.224 0.61 . . . . 0.0 109.668 176.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 30' ' ' LEU . 1.1 tm? -136.07 88.02 22.78 Favored Pre-proline 0 CA--C 1.542 0.654 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.91 157.58 54.55 Favored 'Trans proline' 0 C--N 1.364 1.38 0 C-N-CA 121.932 1.754 . . . . 0.0 111.332 173.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -55.37 -47.28 76.04 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.431 0.692 . . . . 0.0 110.64 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.409 ' OD1' ' HB3' ' A' ' 57' ' ' ASN . 5.0 t30 -57.74 -38.08 74.73 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.175 0.99 . . . . 0.0 111.914 -175.114 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -69.44 -37.34 77.34 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.579 0.752 . . . . 0.0 111.048 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.33 -51.52 67.31 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.942 0.897 . . . . 0.0 109.077 173.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.7 mt -57.41 -42.68 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 C-N-CA 124.942 1.297 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 85.5 m -64.65 -47.45 78.45 Favored 'General case' 0 C--N 1.347 0.465 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.065 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -58.39 -41.42 84.83 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.805 0.442 . . . . 0.0 110.828 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.404 HD11 ' HD1' ' A' ' 73' ' ' TYR . 9.2 mp -68.96 -36.98 78.55 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 122.828 0.451 . . . . 0.0 111.998 -178.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.02 -17.8 56.65 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 118.794 0.724 . . . . 0.0 111.603 176.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -80.35 -41.77 24.13 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.413 0.285 . . . . 0.0 110.879 172.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -89.77 -45.05 9.57 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -174.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.6 154.55 20.96 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.127 0.571 . . . . 0.0 111.821 -176.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -73.43 159.6 33.01 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.266 173.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.23 -31.32 31.62 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.434 1.094 . . . . 0.0 112.774 -174.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.28 -42.04 90.33 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.168 0.987 . . . . 0.0 112.333 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -67.25 -38.86 85.86 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.579 -177.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.524 HD12 ' HB2' ' A' ' 53' ' ' LEU . 2.0 mm? -71.74 -32.14 67.42 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.429 178.224 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -70.99 -25.81 62.86 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 122.634 0.374 . . . . 0.0 111.097 174.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -71.52 -53.91 12.29 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.152 0.581 . . . . 0.0 109.879 175.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -94.32 12.64 26.23 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.415 0.686 . . . . 0.0 112.633 -172.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.621 ' HB2' ' HD2' ' A' ' 64' ' ' ARG . 11.0 mmpt? 66.47 22.67 10.63 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.54 1.136 . . . . 0.0 112.0 172.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.524 ' HB2' HD12 ' A' ' 48' ' ' LEU . 19.6 mt -91.05 7.97 37.79 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.839 0.855 . . . . 0.0 110.565 177.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -82.09 -12.47 58.2 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 124.38 1.072 . . . . 0.0 112.7 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -77.82 -161.68 16.72 Favored Glycine 0 C--N 1.355 1.607 0 CA-C-O 120.18 -0.233 . . . . 0.0 112.798 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.41 ' O ' HG13 ' A' ' 60' ' ' ILE . 6.9 t -80.29 129.71 34.69 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 170.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.525 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.6 m-20 -51.76 -26.04 8.77 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 124.28 1.032 . . . . 0.0 113.774 -172.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -68.92 -49.76 55.31 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 123.382 0.673 . . . . 0.0 110.302 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.8 m -68.87 -27.74 66.07 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.252 177.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 57' ' ' ASN . 61.6 mt -71.76 -49.98 41.84 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 C-N-CA 122.85 0.46 . . . . 0.0 110.098 178.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -67.94 -19.68 65.0 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 122.156 -0.34 . . . . 0.0 111.327 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -79.13 -53.82 6.61 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 171.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -91.01 -14.54 31.22 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -167.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.621 ' HD2' ' HB2' ' A' ' 52' ' ' LYS . 3.1 mmp_? -103.15 110.0 21.78 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 176.341 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -65.42 166.75 9.7 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.177 177.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.51 ' O ' HG13 ' A' ' 70' ' ' ILE . 24.6 p -58.26 -44.91 88.6 Favored 'General case' 0 C--O 1.213 -0.849 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.499 175.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.56 ' HA ' HD12 ' A' ' 70' ' ' ILE . 48.3 m -55.65 -33.46 64.08 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.029 0.932 . . . . 0.0 112.873 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.1 -44.13 73.08 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.567 0.747 . . . . 0.0 109.111 178.068 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.2 mt -73.67 -24.61 60.0 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.471 1.109 . . . . 0.0 112.524 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.56 HD12 ' HA ' ' A' ' 67' ' ' SER . 56.5 mt -72.35 -48.75 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 173.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.34 -34.65 70.87 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.963 0.789 . . . . 0.0 111.326 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.89 -53.73 19.54 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.249 0.62 . . . . 0.0 111.556 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.404 ' HD1' HD11 ' A' ' 39' ' ' LEU . 39.2 t80 -65.52 -36.95 85.32 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.003 0.521 . . . . 0.0 110.474 -178.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.548 ' HE2' HG22 ' A' ' 70' ' ' ILE . 53.6 mtmt -63.83 -52.46 60.04 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 122.759 0.424 . . . . 0.0 110.438 176.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 31.1 t70 -55.89 -39.72 71.99 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 123.784 0.677 . . . . 0.0 110.709 -177.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -60.36 -53.46 57.3 Favored 'General case' 0 C--O 1.258 1.508 0 C-N-CA 124.443 1.097 . . . . 0.0 110.606 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 84.3 m -69.7 -34.43 73.89 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 114.395 -1.275 . . . . 0.0 112.913 -176.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -79.71 -26.31 40.9 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.459 1.103 . . . . 0.0 110.21 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.453 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 3.9 t60 -65.8 -39.09 90.57 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.89 0.876 . . . . 0.0 108.865 173.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.88 42.08 2.52 Favored Glycine 0 C--N 1.346 1.103 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.7 t -43.83 150.83 0.23 Allowed 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 -171.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -58.31 -26.68 63.31 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 112.867 -1.969 . . . . 0.0 112.365 173.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.1 m -60.54 -27.18 67.45 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.94 0.896 . . . . 0.0 111.798 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 99.51 6.51 54.92 Favored Glycine 0 C--N 1.345 1.054 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.621 -177.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.7 mt -83.16 76.25 9.88 Favored 'General case' 0 C--N 1.35 0.606 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 176.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -97.82 71.43 2.21 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 174.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -132.51 152.28 51.62 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.813 -168.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.742 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 178.048 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.9 ttp . . . . . 0 N--CA 1.484 1.237 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -111.2 81.9 1.51 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.078 0.951 . . . . 0.0 109.137 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -62.55 -32.75 73.77 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.623 1.169 . . . . 0.0 110.764 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.4 t -71.12 -18.26 62.53 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.528 -176.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -73.7 -31.73 63.56 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-N 118.309 0.504 . . . . 0.0 110.806 173.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -71.19 -15.74 62.48 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.289 0.636 . . . . 0.0 111.628 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -104.43 -54.26 2.56 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.388 1.075 . . . . 0.0 109.796 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -92.82 79.4 4.71 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.741 1.216 . . . . 0.0 108.517 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.79 123.44 20.96 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.462 175.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -86.78 147.88 25.65 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 171.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.88 26.43 10.48 Favored Glycine 0 C--O 1.239 0.443 0 CA-C-N 116.602 -0.272 . . . . 0.0 112.543 -176.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -71.59 85.58 0.88 Allowed 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 170.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.81 156.96 19.15 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 176.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.37 22.99 61.56 Favored Glycine 0 C--N 1.336 0.53 0 O-C-N 123.539 0.524 . . . . 0.0 114.282 175.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.6 p -87.86 78.3 8.36 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 173.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -90.95 172.93 8.25 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.344 0.657 . . . . 0.0 110.354 -175.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.6 m -85.23 157.5 20.59 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 164.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.3 mm -59.0 -41.49 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 123.341 0.656 . . . . 0.0 111.407 -178.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.546 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 42.5 mt-10 -68.41 -34.85 76.74 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.554 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -62.63 -39.77 94.88 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 173.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 68.9 t -61.65 -56.59 16.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.436 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.546 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 9.2 pt-20 -65.25 -36.4 84.02 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -173.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -81.35 -34.24 31.91 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.03 0.206 . . . . 0.0 111.445 -177.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -101.98 -0.3 33.96 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -175.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.7 mt -61.83 122.77 16.24 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 119.085 0.857 . . . . 0.0 111.201 177.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.7 10.58 60.11 Favored Glycine 0 C--N 1.349 1.255 0 CA-C-N 115.521 -0.763 . . . . 0.0 113.826 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.4 p -100.84 -171.3 1.98 Allowed 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 117.55 0.675 . . . . 0.0 110.634 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -79.74 -28.08 40.49 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.17 0.588 . . . . 0.0 110.593 172.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -68.26 -44.24 76.03 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.514 0.725 . . . . 0.0 110.123 176.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.0 tp -144.09 93.81 5.95 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.538 177.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -62.16 152.0 78.59 Favored 'Trans proline' 0 C--N 1.362 1.274 0 C-N-CA 121.896 1.731 . . . . 0.0 110.764 164.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -57.15 -34.47 68.46 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.043 0.537 . . . . 0.0 109.968 172.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -57.76 -49.99 74.73 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.586 177.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -66.51 -33.34 75.47 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.632 0.773 . . . . 0.0 111.351 -171.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' A' ' 69' ' ' LEU . 3.5 tm? -60.68 -58.05 10.12 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.387 173.291 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.7 mt -59.63 -36.54 65.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.788 -177.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.8 m -58.65 -52.37 65.98 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.38 1.072 . . . . 0.0 110.177 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.455 ' HD1' HD12 ' A' ' 39' ' ' LEU . 61.8 t80 -54.58 -46.18 73.71 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.406 0.682 . . . . 0.0 110.176 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.455 HD12 ' HD1' ' A' ' 38' ' ' TYR . 9.7 mp -63.88 -42.45 97.5 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.075 -0.512 . . . . 0.0 112.327 -176.277 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -82.47 -16.51 48.56 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.669 -0.645 . . . . 0.0 112.281 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.5 mtpm? -77.24 -45.52 26.2 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.712 0.405 . . . . 0.0 111.224 171.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -87.49 -45.93 10.05 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.578 -172.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.52 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . . . -77.11 157.37 31.07 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 121.118 0.485 . . . . 0.0 111.918 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -76.57 158.89 30.78 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.572 167.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.86 -29.73 42.64 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.965 0.906 . . . . 0.0 112.825 -171.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.55 -44.85 73.25 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.547 1.139 . . . . 0.0 112.145 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -64.34 -42.98 95.97 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.41 -176.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.44 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.5 mm? -73.57 -28.66 61.97 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.613 -178.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -74.32 -21.77 59.56 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.855 0.462 . . . . 0.0 111.141 174.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -76.69 -49.28 16.48 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 122.61 0.364 . . . . 0.0 110.032 172.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -93.1 9.87 34.03 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -173.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.409 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 11.6 mmpt? 64.37 20.51 12.19 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 124.547 1.139 . . . . 0.0 111.67 175.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.603 ' HA ' HD13 ' A' ' 60' ' ' ILE . 32.0 mt -89.43 1.42 55.88 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 124.026 0.93 . . . . 0.0 110.629 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.2 t -74.52 -11.98 60.36 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.068 0.947 . . . . 0.0 112.554 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -78.8 -169.51 36.44 Favored Glycine 0 C--N 1.352 1.457 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 175.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.8 t -73.97 127.53 33.11 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 117.158 0.479 . . . . 0.0 109.72 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.571 ' HA ' HD12 ' A' ' 60' ' ' ILE . 40.2 t-20 -53.25 -36.15 60.79 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.914 1.286 . . . . 0.0 112.298 -170.095 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -58.72 -53.05 62.69 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.342 1.057 . . . . 0.0 111.054 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.402 ' HA ' ' HE2' ' A' ' 62' ' ' LYS . 28.8 t -62.62 -42.88 99.84 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.137 178.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.603 HD13 ' HA ' ' A' ' 53' ' ' LEU . 71.2 mt -57.04 -60.42 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 O-C-N 124.077 0.86 . . . . 0.0 110.569 -176.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -60.69 -30.98 70.26 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.848 0.459 . . . . 0.0 111.982 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.402 ' HE2' ' HA ' ' A' ' 59' ' ' SER . 38.3 ttpt -68.82 -39.5 80.01 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 122.887 0.475 . . . . 0.0 111.488 175.218 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -90.88 -18.71 24.33 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.934 0.894 . . . . 0.0 111.884 -173.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.508 ' HD3' ' HG3' ' A' ' 68' ' ' GLN . 7.9 mmp_? -107.58 148.54 29.16 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.41 0.684 . . . . 0.0 110.223 -176.1 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -78.09 167.51 21.32 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.151 171.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.466 ' O ' HG13 ' A' ' 70' ' ' ILE . 25.1 p -57.74 -42.06 83.14 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 170.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.604 ' HA ' HD12 ' A' ' 70' ' ' ILE . 22.9 m -51.86 -37.58 52.64 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.926 1.29 . . . . 0.0 113.589 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.508 ' HG3' ' HD3' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -66.29 -46.43 77.01 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 121.241 0.543 . . . . 0.0 109.716 178.202 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.439 ' HB3' HD12 ' A' ' 35' ' ' LEU . 55.8 mt -71.93 -31.75 66.65 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.897 -173.366 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 67' ' ' SER . 27.8 mt -65.48 -51.35 64.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 172.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.76 -40.1 69.01 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.455 1.102 . . . . 0.0 111.539 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.39 -48.29 67.82 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.934 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.403 ' HD1' HD11 ' A' ' 39' ' ' LEU . 53.3 t80 -65.46 -30.11 70.86 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 122.827 0.451 . . . . 0.0 110.94 178.147 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -67.97 -59.65 3.11 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.89 -25.45 65.1 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.833 0.453 . . . . 0.0 111.251 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.52 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 2.8 t80 -63.36 -60.8 2.9 Favored 'General case' 0 C--O 1.255 1.381 0 C-N-CA 123.851 0.86 . . . . 0.0 110.888 174.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.522 ' HB3' ' HB3' ' A' ' 87' ' ' GLN . 74.8 m -67.99 -34.49 76.63 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.939 -176.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -73.64 -35.11 65.25 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.616 0.767 . . . . 0.0 110.944 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -67.25 -29.42 69.04 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 174.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 101.5 45.75 1.77 Allowed Glycine 0 C--N 1.346 1.107 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.89 176.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.5 t -42.01 148.09 0.2 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.284 1.434 . . . . 0.0 114.585 -173.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -65.56 -5.43 8.06 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 113.379 -1.737 . . . . 0.0 112.613 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.3 m -57.28 -30.17 64.49 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.048 0.939 . . . . 0.0 111.217 167.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 100.36 29.23 6.79 Favored Glycine 0 C--N 1.35 1.349 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.979 -171.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 83.3 mt -123.65 115.58 21.69 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.352 0.661 . . . . 0.0 110.305 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -118.43 81.29 1.66 Allowed 'General case' 0 C--O 1.241 0.632 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 164.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.522 ' HB3' ' HB3' ' A' ' 77' ' ' CYS . 8.8 tt0 -100.66 143.52 30.74 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 114.673 -1.149 . . . . 0.0 110.227 -174.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.836 0 CA-C-O 119.14 -0.811 . . . . 0.0 111.358 179.296 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.5 ttm . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -77.6 84.3 3.97 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-O 121.39 0.614 . . . . 0.0 109.838 -177.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -79.08 -36.14 41.28 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.646 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.5 m -55.82 -36.98 68.08 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.427 1.091 . . . . 0.0 112.542 -175.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.62 -7.43 47.8 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.47 1.108 . . . . 0.0 112.984 -173.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.48 -37.97 68.31 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 176.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -87.55 -33.87 18.77 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.434 173.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -96.68 45.17 1.05 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.316 1.046 . . . . 0.0 110.291 -177.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -72.16 163.28 28.19 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.273 1.029 . . . . 0.0 111.404 -179.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.82 132.47 53.98 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.18 0.592 . . . . 0.0 111.801 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.61 -52.66 4.48 Favored Glycine 0 C--N 1.345 1.037 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.804 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.446 ' HE2' ' SG ' ' A' ' 15' ' ' CYS . 86.3 tttt -88.19 95.28 10.11 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.113 0.565 . . . . 0.0 110.082 177.226 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.43 155.56 43.48 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 173.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 60.08 39.84 96.3 Favored Glycine 0 C--N 1.344 0.978 0 O-C-N 123.614 0.571 . . . . 0.0 113.876 174.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.446 ' SG ' ' HE2' ' A' ' 12' ' ' LYS . 13.8 p -87.2 92.49 9.08 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -98.96 175.19 6.02 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 121.529 0.68 . . . . 0.0 111.299 -172.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.2 m -96.76 163.61 12.92 Favored 'General case' 0 C--O 1.245 0.857 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.141 166.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.9 mm -55.83 -45.62 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.093 0.957 . . . . 0.0 111.329 -178.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.563 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 45.3 mt-10 -72.77 -29.79 63.59 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.11 -174.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -62.17 -46.51 88.65 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 172.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.572 ' HA ' ' HG ' ' A' ' 30' ' ' LEU . 47.4 t -57.3 -60.74 1.73 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.719 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.563 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.7 pt-20 -66.43 -43.07 86.68 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -171.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -76.7 -26.99 55.31 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.918 0.487 . . . . 0.0 111.543 -174.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -109.25 1.8 20.44 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 118.557 -0.735 . . . . 0.0 112.055 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 mt -59.78 111.46 1.46 Allowed 'General case' 0 N--CA 1.49 1.556 0 CA-C-N 119.172 0.896 . . . . 0.0 110.396 175.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.66 21.75 11.01 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 115.226 -0.897 . . . . 0.0 113.168 -174.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.1 p -119.01 -177.0 3.23 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 117.328 0.564 . . . . 0.0 109.948 172.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -72.4 -34.06 67.6 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.461 0.704 . . . . 0.0 110.84 172.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -75.41 -23.73 57.06 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.544 0.737 . . . . 0.0 111.66 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.572 ' HG ' ' HA ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -150.36 85.76 5.3 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 172.536 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -65.16 148.74 89.23 Favored 'Trans proline' 0 C--N 1.368 1.574 0 C-N-CA 122.124 1.883 . . . . 0.0 111.545 168.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.499 ' NZ ' ' SG ' ' A' ' 66' ' ' CYS . 49.1 mttm -61.63 -36.75 81.67 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.027 173.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -63.88 -50.92 66.87 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 124.015 0.822 . . . . 0.0 109.339 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -59.85 -35.02 73.88 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.717 1.207 . . . . 0.0 111.692 -177.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.524 HD12 ' HB3' ' A' ' 69' ' ' LEU . 3.1 tm? -64.47 -56.21 15.67 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.531 0.732 . . . . 0.0 109.739 175.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.1 mt -59.6 -36.29 64.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 C-N-CA 123.983 0.913 . . . . 0.0 111.062 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 99.5 m -63.96 -50.32 69.08 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.899 0.88 . . . . 0.0 109.869 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -56.0 -42.65 76.73 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.355 0.662 . . . . 0.0 110.598 177.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.37 -45.01 89.59 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.569 -178.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.467 ' HA ' HD21 ' A' ' 48' ' ' LEU . 9.8 pt20 -77.74 -17.39 57.62 Favored 'General case' 0 N--CA 1.484 1.225 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -81.47 -51.32 8.41 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.641 0.376 . . . . 0.0 111.168 173.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -90.42 -33.04 16.17 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.528 0.731 . . . . 0.0 112.596 -168.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.37 165.94 16.82 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 117.915 0.325 . . . . 0.0 110.963 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -77.61 155.8 31.23 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.549 0.739 . . . . 0.0 109.551 177.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.42 -32.64 68.86 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.271 0.628 . . . . 0.0 111.512 -176.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.45 -41.01 72.3 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.511 1.124 . . . . 0.0 111.991 175.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -66.48 -37.65 85.55 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.973 0.909 . . . . 0.0 110.956 -176.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.467 HD21 ' HA ' ' A' ' 40' ' ' GLN . 1.6 mm? -77.0 -32.3 57.11 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.515 0.326 . . . . 0.0 110.836 178.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -78.1 -13.22 59.95 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.805 0.442 . . . . 0.0 110.854 175.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -81.45 -49.64 10.39 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.447 1.099 . . . . 0.0 110.321 171.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -91.01 0.99 57.41 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.51 0.724 . . . . 0.0 112.318 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm 63.84 27.52 14.55 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.763 1.225 . . . . 0.0 111.524 177.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.436 ' HA ' HD13 ' A' ' 60' ' ' ILE . 22.1 mt -85.92 1.43 50.03 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.024 172.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.4 t -65.87 -21.1 66.44 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.65 1.18 . . . . 0.0 112.408 176.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.59 -171.17 29.81 Favored Glycine 0 C--N 1.349 1.292 0 CA-C-N 116.499 -0.319 . . . . 0.0 113.34 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.0 t -74.68 133.55 42.08 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.557 ' HA ' HD12 ' A' ' 60' ' ' ILE . 39.4 t-20 -57.44 -34.15 68.65 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.081 0.952 . . . . 0.0 111.745 -170.057 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -54.81 -54.92 35.9 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.869 0.868 . . . . 0.0 110.168 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.2 m -68.27 -25.85 65.37 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.863 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 57' ' ' ASN . 55.5 mt -73.05 -60.77 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 178.123 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 8.1 ptm180 -62.58 -16.36 55.94 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.301 0.641 . . . . 0.0 112.266 -178.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -87.23 -52.49 5.37 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 122.297 0.239 . . . . 0.0 111.553 173.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -77.84 -49.16 14.83 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 123.076 0.55 . . . . 0.0 110.943 -173.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.87 142.99 47.94 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 172.593 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -94.43 -178.65 4.65 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 172.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.499 ' SG ' ' NZ ' ' A' ' 32' ' ' LYS . 87.0 m -59.41 -39.82 84.66 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.942 0.497 . . . . 0.0 111.795 -177.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.9 m -54.04 -38.89 65.68 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -174.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -65.06 -40.95 95.46 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 122.768 0.427 . . . . 0.0 111.478 176.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.524 ' HB3' HD12 ' A' ' 35' ' ' LEU . 44.4 mt -74.49 -36.07 63.24 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.927 -174.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 66' ' ' CYS . 49.3 mt -64.82 -53.91 36.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 174.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.58 -35.87 77.14 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 114.499 -1.228 . . . . 0.0 111.381 -176.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.36 -44.96 81.75 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.085 0.554 . . . . 0.0 111.268 175.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -64.44 -37.59 88.06 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 122.32 0.248 . . . . 0.0 110.443 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.527 ' O ' ' HG2' ' A' ' 78' ' ' GLU . 9.4 mtpm? -62.98 -59.1 5.28 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.792 0.837 . . . . 0.0 109.409 177.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 1.4 m-20 -54.24 -33.74 59.1 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.126 0.97 . . . . 0.0 111.816 -178.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -66.89 -52.14 46.88 Favored 'General case' 0 C--O 1.256 1.418 0 C-N-CA 123.504 0.722 . . . . 0.0 110.558 176.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.4 ' HA ' HG22 ' A' ' 81' ' ' THR . 71.0 m -63.37 -26.04 68.57 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.093 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 8.2 mm-40 -90.72 -27.79 18.72 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.68 0.792 . . . . 0.0 110.965 179.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.432 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 19.9 t60 -78.36 -16.27 57.85 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.189 0.596 . . . . 0.0 110.838 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 106.22 49.26 0.94 Allowed Glycine 0 C--N 1.352 1.425 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.946 178.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.4 HG22 ' HA ' ' A' ' 77' ' ' CYS . 1.5 t -41.12 121.95 1.68 Allowed 'General case' 0 CA--C 1.56 1.343 0 C-N-CA 124.832 1.253 . . . . 0.0 113.597 177.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -80.96 6.75 12.43 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 114.795 -1.093 . . . . 0.0 112.491 -175.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.5 ' HB2' ' HG ' ' A' ' 85' ' ' LEU . 12.8 m -67.92 -14.09 62.68 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.86 0.864 . . . . 0.0 112.195 175.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 95.88 16.93 37.04 Favored Glycine 0 C--N 1.351 1.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.182 -177.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.5 ' HG ' ' HB2' ' A' ' 83' ' ' SER . 46.7 mt -76.53 -38.72 54.65 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.087 0.555 . . . . 0.0 110.259 178.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -107.86 97.74 7.42 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 173.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -87.45 102.55 14.66 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.966 0 CA-C-O 118.695 -1.058 . . . . 0.0 112.066 -175.336 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -87.44 87.87 7.53 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 175.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -73.54 -17.86 61.15 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 121.097 0.475 . . . . 0.0 110.132 172.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.4 m -96.36 29.92 2.71 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.537 1.135 . . . . 0.0 109.949 174.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -60.31 -38.0 82.33 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.347 1.059 . . . . 0.0 113.037 -175.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -41.71 71.29 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.536 0.334 . . . . 0.0 110.937 -171.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -77.82 -26.08 49.28 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.825 0.45 . . . . 0.0 110.975 178.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -130.07 45.22 2.84 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.545 0.738 . . . . 0.0 109.943 -168.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -76.95 140.62 40.52 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 121.211 0.529 . . . . 0.0 111.046 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -121.84 145.26 48.24 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 106.78 -1.563 . . . . 0.0 106.78 175.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.97 1.47 48.7 Favored Glycine 0 N--CA 1.472 1.034 0 N-CA-C 111.669 -0.572 . . . . 0.0 111.669 -169.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -78.02 121.96 24.92 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 174.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.19 173.15 10.75 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.847 0.859 . . . . 0.0 109.382 -174.333 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.46 24.78 53.08 Favored Glycine 0 C--N 1.341 0.826 0 N-CA-C 114.631 0.612 . . . . 0.0 114.631 173.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.449 ' SG ' HD21 ' A' ' 85' ' ' LEU . 41.2 t -80.06 84.41 5.79 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 174.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 -95.06 -179.25 4.75 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.324 0.649 . . . . 0.0 110.43 -177.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.8 m -91.81 160.49 15.29 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 165.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 74' ' ' LYS . 45.9 mm -57.63 -43.66 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 123.497 0.498 . . . . 0.0 109.745 174.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.572 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 48.9 mt-10 -68.12 -37.05 80.7 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.13 -179.418 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -62.79 -42.97 99.94 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.4 t -58.6 -63.15 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.539 175.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.572 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.3 pt-20 -63.33 -42.08 98.94 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -169.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -75.89 -37.65 58.61 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.031 0.533 . . . . 0.0 111.333 -174.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -96.87 -0.05 48.39 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 118.789 -0.624 . . . . 0.0 112.134 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.535 HD22 ' HG2' ' A' ' 32' ' ' LYS . 6.3 mt -58.78 119.97 8.11 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 118.694 0.679 . . . . 0.0 110.95 177.169 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.11 -23.89 26.18 Favored Glycine 0 C--N 1.34 0.801 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.435 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.2 p -78.74 170.1 17.19 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -72.21 -17.01 61.95 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.95 0.5 . . . . 0.0 110.771 174.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -74.17 -36.38 64.07 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.668 0.787 . . . . 0.0 110.774 179.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -147.45 80.48 9.13 Favored Pre-proline 0 N--CA 1.475 0.794 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.449 ' HG2' ' HB2' ' A' ' 34' ' ' ASP . 39.5 Cg_endo -68.74 146.82 67.82 Favored 'Trans proline' 0 C--N 1.373 1.822 0 C-N-CA 121.791 1.661 . . . . 0.0 111.192 174.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.707 ' HD3' ' SG ' ' A' ' 66' ' ' CYS . 56.2 mtmt -56.63 -39.59 73.92 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.249 1.02 . . . . 0.0 111.128 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -55.75 -45.16 78.09 Favored 'General case' 0 CA--C 1.553 1.064 0 O-C-N 124.191 0.932 . . . . 0.0 110.876 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.449 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 0.3 OUTLIER -64.98 -37.85 89.01 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 123.666 0.786 . . . . 0.0 111.523 -178.775 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.541 HD23 ' HB3' ' A' ' 69' ' ' LEU . 54.8 tp -60.97 -56.21 23.81 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.258 0.552 . . . . 0.0 109.926 177.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.3 mt -54.3 -40.04 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 114.558 -1.201 . . . . 0.0 111.165 178.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.6 m -58.88 -49.96 75.82 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 124.083 0.865 . . . . 0.0 110.685 176.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.454 ' HD2' HD12 ' A' ' 39' ' ' LEU . 66.9 t80 -56.12 -48.1 76.84 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 123.684 0.615 . . . . 0.0 110.414 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.454 HD12 ' HD2' ' A' ' 38' ' ' TYR . 10.7 mp -63.96 -43.34 96.07 Favored 'General case' 0 C--O 1.207 -1.142 0 O-C-N 123.852 0.72 . . . . 0.0 111.704 -176.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.407 ' HA ' HD21 ' A' ' 48' ' ' LEU . 9.6 pt20 -75.96 -19.03 59.07 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 121.55 -0.719 . . . . 0.0 112.218 -178.528 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -79.12 -49.29 12.84 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 123.125 0.266 . . . . 0.0 111.134 172.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -84.78 -45.27 12.53 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.335 0.254 . . . . 0.0 110.818 -171.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.422 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . . . -77.93 152.11 33.38 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.733 0.413 . . . . 0.0 111.19 178.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -75.71 156.8 34.34 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 124.121 0.969 . . . . 0.0 109.203 174.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.16 -31.66 32.32 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.9 0.88 . . . . 0.0 113.229 -169.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.12 79.39 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.549 1.14 . . . . 0.0 112.335 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.409 ' HE2' HD23 ' A' ' 39' ' ' LEU . 59.1 t80 -63.45 -40.65 97.71 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.467 -177.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.483 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.7 mm? -75.68 -29.9 59.19 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.616 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 -76.38 -14.76 60.06 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.746 0.419 . . . . 0.0 110.895 174.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -78.34 -58.54 3.2 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.241 0.616 . . . . 0.0 109.504 169.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -86.16 4.97 36.14 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.337 0.655 . . . . 0.0 112.709 -173.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.28 22.98 5.22 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 125.053 1.341 . . . . 0.0 112.087 175.166 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.489 ' HA ' HD13 ' A' ' 60' ' ' ILE . 18.2 mt -90.97 7.46 40.15 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.834 0.853 . . . . 0.0 111.462 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -82.9 -16.42 47.59 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -173.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.32 -146.4 7.58 Favored Glycine 0 N--CA 1.479 1.522 0 CA-C-O 120.176 -0.235 . . . . 0.0 112.817 -175.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.9 t -80.29 126.44 31.14 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 173.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.467 ' HA ' HD12 ' A' ' 60' ' ' ILE . 32.3 t-20 -58.71 -27.05 64.51 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.876 0.87 . . . . 0.0 111.857 -171.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -61.32 -52.58 64.08 Favored 'General case' 0 C--O 1.249 1.069 0 C-N-CA 123.843 0.857 . . . . 0.0 111.627 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -67.33 -26.24 66.4 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.43 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.489 HD13 ' HA ' ' A' ' 53' ' ' LEU . 45.9 mt -78.64 -52.74 15.02 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.943 0 C-N-CA 122.635 0.374 . . . . 0.0 110.631 -178.079 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -58.68 -34.45 71.29 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.591 -0.693 . . . . 0.0 111.198 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -78.19 -55.09 5.54 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.797 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -90.82 -33.43 15.69 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.281 0.632 . . . . 0.0 112.535 -167.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -78.21 119.57 21.78 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -60.11 146.6 42.53 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 123.812 0.695 . . . . 0.0 111.271 -174.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.707 ' SG ' ' HD3' ' A' ' 32' ' ' LYS . 20.6 m -54.83 -42.01 71.4 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 123.863 0.727 . . . . 0.0 110.197 177.311 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.476 ' HA ' HD12 ' A' ' 70' ' ' ILE . 17.0 m -55.87 -40.33 72.77 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.38 1.072 . . . . 0.0 111.941 176.059 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -68.83 -36.82 78.67 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.528 0.731 . . . . 0.0 110.5 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.541 ' HB3' HD23 ' A' ' 35' ' ' LEU . 72.0 mt -70.09 -39.71 75.39 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.859 0.864 . . . . 0.0 111.197 -179.449 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 67' ' ' SER . 28.2 mt -58.27 -51.8 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 172.101 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.23 -35.88 67.85 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 124.42 1.075 . . . . 0.0 111.448 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.34 -54.26 26.61 Favored 'General case' 0 CA--C 1.552 1.05 0 O-C-N 123.631 0.582 . . . . 0.0 111.341 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.43 ' HB2' HD11 ' A' ' 35' ' ' LEU . 77.1 t80 -62.37 -35.61 79.71 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 123.511 0.724 . . . . 0.0 111.148 178.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.496 ' HA ' HD12 ' A' ' 18' ' ' ILE . 33.4 ttmt -67.61 -50.12 59.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.688 -1.142 . . . . 0.0 108.496 -174.422 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.87 -31.37 72.52 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.021 -1.445 . . . . 0.0 111.242 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 7.3 t80 -64.1 -51.58 63.33 Favored 'General case' 0 C--O 1.252 1.222 0 C-N-CA 124.155 0.982 . . . . 0.0 110.89 178.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 86' ' ' ASN . 69.5 m -65.99 -41.62 90.86 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.88 179.341 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -66.87 -30.34 70.49 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.395 0.678 . . . . 0.0 110.947 176.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -69.17 -30.95 69.28 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.617 0.767 . . . . 0.0 110.375 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.43 ' HA2' ' HB2' ' A' ' 86' ' ' ASN . . . 103.08 44.6 1.72 Allowed Glycine 0 C--N 1.344 1.021 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.715 177.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.5 t -44.26 150.75 0.28 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.849 1.259 . . . . 0.0 113.892 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -64.57 -10.8 28.64 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.453 1.101 . . . . 0.0 112.23 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.2 m -69.01 -13.23 62.33 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.498 1.119 . . . . 0.0 112.059 173.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 97.04 -1.94 61.28 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 116.487 -0.324 . . . . 0.0 113.365 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.449 HD21 ' SG ' ' A' ' 15' ' ' CYS . 84.3 mt -85.55 114.98 22.98 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.041 0.536 . . . . 0.0 109.707 179.056 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.472 ' HA ' ' O ' ' A' ' 77' ' ' CYS . 4.5 t-20 -153.65 127.69 8.99 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.195 0.598 . . . . 0.0 110.785 173.177 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -128.23 119.49 25.3 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 107.513 -1.292 . . . . 0.0 107.513 169.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.081 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 -177.234 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 ptp . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 120.704 0.287 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.22 90.68 2.84 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 175.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -93.31 -10.65 34.7 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.078 0.551 . . . . 0.0 111.921 -178.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.8 t -75.75 -0.87 22.45 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.125 0.57 . . . . 0.0 112.092 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.609 ' HA ' ' HB3' ' A' ' 8' ' ' LYS . 1.6 m-20 -66.91 0.95 2.13 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.072 0.949 . . . . 0.0 112.682 175.279 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -51.06 -62.91 1.32 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.936 0.894 . . . . 0.0 110.147 164.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -92.1 -37.2 12.9 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.052 0.541 . . . . 0.0 110.314 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.609 ' HB3' ' HA ' ' A' ' 5' ' ' ASP . 22.6 ttmt -63.48 -8.6 9.79 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 124.414 1.086 . . . . 0.0 112.31 -178.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -42.99 124.42 3.16 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.439 1.496 . . . . 0.0 113.906 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -88.88 148.06 24.05 Favored 'General case' 0 C--O 1.246 0.915 0 CA-C-N 114.486 -1.234 . . . . 0.0 108.469 173.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.11 37.67 59.8 Favored Glycine 0 C--N 1.339 0.718 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -167.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.585 ' HE2' ' HB3' ' A' ' 83' ' ' SER . 4.5 ttmp? -63.52 111.78 2.49 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 124.516 1.126 . . . . 0.0 110.222 -175.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.6 ptm -63.85 162.14 14.17 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.899 177.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.96 20.82 79.09 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 115.532 0.973 . . . . 0.0 115.532 167.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.9 m -82.69 81.06 8.61 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 175.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.488 ' CE2' HD21 ' A' ' 30' ' ' LEU . 2.7 m-90 -100.18 170.9 8.14 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.208 0.603 . . . . 0.0 110.597 -178.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.7 m -82.34 156.19 24.37 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.1 164.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.597 HD12 ' HG2' ' A' ' 74' ' ' LYS . 45.6 mm -54.37 -40.4 48.42 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 C-N-CA 123.854 0.862 . . . . 0.0 110.885 177.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.61 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 38.2 mt-10 -70.66 -37.7 73.73 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.685 -178.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -61.6 -42.68 99.21 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-N 118.36 0.527 . . . . 0.0 109.632 176.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.8 t -56.31 -62.99 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.237 175.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.61 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 13.1 pt-20 -65.41 -35.89 82.29 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -169.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -78.46 -41.99 31.12 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.324 0.39 . . . . 0.0 110.842 -176.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -93.38 -6.84 46.28 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -175.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 25' ' ' LEU . 7.0 mt -62.91 115.99 4.88 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 118.909 0.777 . . . . 0.0 110.8 178.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 119.8 -16.14 10.33 Favored Glycine 0 C--N 1.344 0.978 0 CA-C-N 115.255 -0.884 . . . . 0.0 112.301 -178.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.3 p -94.01 -178.51 4.67 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.383 0.673 . . . . 0.0 110.53 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.95 -26.44 54.02 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.957 0.503 . . . . 0.0 110.399 170.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -66.44 -40.05 89.26 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.43 0.692 . . . . 0.0 111.068 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.488 HD21 ' CE2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -139.89 88.16 12.2 Favored Pre-proline 0 N--CA 1.472 0.654 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 172.695 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.572 ' HG2' ' HB2' ' A' ' 34' ' ' ASP . 35.5 Cg_endo -67.56 143.63 63.47 Favored 'Trans proline' 0 C--N 1.368 1.58 0 C-N-CA 121.917 1.745 . . . . 0.0 111.161 173.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -58.6 -32.11 68.67 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.236 1.015 . . . . 0.0 110.478 174.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -54.43 -53.88 48.25 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.104 173.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.572 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 8.9 t70 -68.67 -28.78 67.18 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.437 0.695 . . . . 0.0 111.568 -172.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 39' ' ' LEU . 2.7 tm? -62.28 -57.44 11.37 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 173.563 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.426 HG23 ' HB3' ' A' ' 53' ' ' LEU . 65.5 mt -60.63 -34.45 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.437 -179.107 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.0 m -61.63 -47.52 85.02 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.283 1.033 . . . . 0.0 110.33 176.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.541 ' HD1' HD12 ' A' ' 39' ' ' LEU . 62.3 t80 -54.5 -49.52 69.96 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 176.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.541 HD12 ' HD1' ' A' ' 38' ' ' TYR . 11.1 mp -65.32 -40.0 93.16 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.883 -174.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.406 ' HA ' HD21 ' A' ' 48' ' ' LEU . 7.5 pt20 -78.24 -18.23 55.64 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.329 -0.857 . . . . 0.0 112.051 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -78.38 -52.66 8.25 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.624 0.37 . . . . 0.0 111.495 173.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -93.2 -36.26 12.71 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -168.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 39' ' ' LEU . . . -84.11 154.03 23.4 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 177.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.09 155.78 39.91 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.742 0.817 . . . . 0.0 109.396 175.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.457 ' HA ' HD23 ' A' ' 48' ' ' LEU . . . -57.04 -28.04 62.19 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.579 0.752 . . . . 0.0 112.206 -171.244 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.12 -42.89 77.56 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.145 0.978 . . . . 0.0 112.141 177.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -65.14 -38.17 89.77 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.537 0.735 . . . . 0.0 110.407 -177.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.544 HD12 ' HB2' ' A' ' 53' ' ' LEU . 2.2 mm? -72.92 -31.96 64.99 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.248 178.165 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -71.57 -24.17 61.87 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.082 0.553 . . . . 0.0 111.016 174.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -75.68 -49.92 16.91 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.097 0.559 . . . . 0.0 110.748 176.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -94.21 9.23 38.79 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -174.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.412 ' HG3' ' NH2' ' A' ' 64' ' ' ARG . 11.6 mmpt? 68.28 20.49 8.74 Favored 'General case' 0 N--CA 1.497 1.922 0 C-N-CA 124.963 1.305 . . . . 0.0 111.834 176.502 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.616 ' HA ' HD13 ' A' ' 60' ' ' ILE . 21.5 mt -89.08 0.69 56.49 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 123.904 0.882 . . . . 0.0 111.596 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.8 t -75.13 -12.88 60.4 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 123.933 0.893 . . . . 0.0 113.005 -178.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -86.66 -151.55 19.56 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-O 120.212 -0.215 . . . . 0.0 113.174 -177.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.2 t -80.31 122.4 26.86 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.019 0.527 . . . . 0.0 110.032 175.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.464 ' HA ' HD12 ' A' ' 60' ' ' ILE . 37.3 t-20 -55.72 -30.38 61.08 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 124.292 1.037 . . . . 0.0 112.091 -170.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.07 -54.22 47.35 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.669 0.788 . . . . 0.0 111.373 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.0 m -65.74 -34.3 77.87 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.107 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.616 HD13 ' HA ' ' A' ' 53' ' ' LEU . 59.6 mt -67.21 -52.17 45.68 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.209 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.826 -178.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -67.88 -21.66 65.15 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 118.371 0.532 . . . . 0.0 111.1 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -67.85 -51.53 47.29 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.39 0.676 . . . . 0.0 111.722 173.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -82.62 -52.67 6.59 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 121.54 0.686 . . . . 0.0 110.81 -178.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.53 ' HD2' ' HG2' ' A' ' 68' ' ' GLN . 20.2 mmt180 -87.41 96.25 10.3 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.058 178.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -89.96 -163.14 0.96 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.197 0.599 . . . . 0.0 109.799 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.469 ' O ' HG13 ' A' ' 70' ' ' ILE . 20.8 p -45.92 -59.32 2.89 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.208 1.003 . . . . 0.0 113.592 -170.231 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.525 ' HA ' HD12 ' A' ' 70' ' ' ILE . 11.0 m -51.32 -44.43 61.96 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 124.266 1.026 . . . . 0.0 113.1 -172.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.53 ' HG2' ' HD2' ' A' ' 64' ' ' ARG . 23.5 tp60 -64.46 -43.35 94.51 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.556 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.425 ' HB3' HD12 ' A' ' 35' ' ' LEU . 80.5 mt -75.31 -28.9 59.87 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.714 -174.134 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 67' ' ' SER . 19.2 mt -68.91 -46.14 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 173.214 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.38 -36.85 76.55 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.863 0.865 . . . . 0.0 111.793 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.56 -47.45 48.02 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.411 0.684 . . . . 0.0 111.519 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -61.44 -45.33 94.74 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.627 0.771 . . . . 0.0 110.234 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.597 ' HG2' HD12 ' A' ' 18' ' ' ILE . 58.0 mtmt -60.28 -51.37 69.85 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.792 175.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -51.47 -40.95 60.5 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.382 0.673 . . . . 0.0 111.551 -175.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -67.97 -55.1 13.95 Favored 'General case' 0 C--O 1.261 1.664 0 CA-C-O 121.63 0.728 . . . . 0.0 110.081 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 41.8 t -58.4 -31.44 67.69 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 114.52 -1.218 . . . . 0.0 112.274 -177.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 18.4 mm-40 -91.69 -29.47 16.83 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.155 0.982 . . . . 0.0 110.807 -177.513 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.67 -22.27 66.62 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 123.1 0.56 . . . . 0.0 110.811 176.219 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.47 45.33 1.56 Allowed Glycine 0 C--N 1.345 1.068 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.7 t -41.06 122.15 1.71 Allowed 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.689 1.596 . . . . 0.0 113.885 -171.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -60.26 -52.33 65.72 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 113.99 -1.459 . . . . 0.0 111.321 178.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.585 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . 46.5 m 52.12 13.96 0.31 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.716 1.206 . . . . 0.0 114.164 177.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 56.71 24.43 48.2 Favored Glycine 0 C--N 1.35 1.347 0 C-N-CA 123.421 0.534 . . . . 0.0 114.118 -173.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 87.4 mt -113.86 -68.45 0.93 Allowed 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -178.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -130.32 104.53 7.33 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.828 0.851 . . . . 0.0 108.826 -176.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? -103.15 137.25 41.56 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 177.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.617 0 CA-C-O 119.552 -0.582 . . . . 0.0 113.019 -179.081 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.5 tpt . . . . . 0 N--CA 1.488 1.455 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.75 121.28 42.84 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.058 0.543 . . . . 0.0 110.145 173.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -100.42 16.46 24.46 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.752 0.821 . . . . 0.0 109.768 174.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.1 m -68.74 -36.22 78.1 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.326 0.65 . . . . 0.0 111.194 178.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.675 ' HA ' ' HB2' ' A' ' 8' ' ' LYS . 5.8 m-20 -99.74 24.28 8.56 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.78 0.832 . . . . 0.0 112.071 176.079 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -73.28 -49.38 27.94 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.965 0.506 . . . . 0.0 109.898 177.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -90.36 -27.01 19.64 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.628 0.771 . . . . 0.0 109.76 175.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.675 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 0.4 OUTLIER -86.32 10.27 15.4 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.633 1.173 . . . . 0.0 110.942 -176.189 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -54.27 144.03 21.44 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.146 1.378 . . . . 0.0 112.176 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -70.24 150.26 46.61 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.241 0.616 . . . . 0.0 110.4 177.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.05 40.51 1.96 Allowed Glycine 0 C--N 1.342 0.889 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -166.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.578 ' HE3' HD23 ' A' ' 85' ' ' LEU . 4.0 mptp? -64.54 95.07 0.13 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.003 0.921 . . . . 0.0 109.99 -176.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.36 144.84 56.87 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.219 177.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.21 16.3 80.67 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 115.073 0.789 . . . . 0.0 115.073 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.0 t -86.75 78.73 9.04 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 177.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -90.38 177.62 6.34 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.929 0.892 . . . . 0.0 111.391 -173.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.3 m -83.24 154.87 23.97 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.042 165.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 43.9 mm -58.79 -43.19 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 123.175 0.59 . . . . 0.0 110.79 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.572 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 40.7 mt-10 -69.83 -32.6 71.1 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.64 -179.366 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -64.97 -42.72 94.31 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 175.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.0 t -56.47 -63.11 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.209 175.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.572 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.1 pt-20 -62.82 -43.94 97.48 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -170.06 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -74.9 -32.9 61.95 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 122.733 0.413 . . . . 0.0 111.166 -174.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -96.49 -6.13 37.91 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 118.506 -0.759 . . . . 0.0 112.411 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.433 HD22 ' HG2' ' A' ' 32' ' ' LYS . 11.2 mt -61.51 113.89 2.93 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 119.252 0.933 . . . . 0.0 111.527 177.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.98 -15.6 25.88 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.919 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.4 p -79.41 172.5 13.71 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 117.181 0.491 . . . . 0.0 110.672 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -68.2 -29.58 68.47 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.026 171.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -71.24 -33.96 70.33 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.824 0.85 . . . . 0.0 111.922 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.11 81.95 7.95 Favored Pre-proline 0 N--CA 1.476 0.83 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 178.524 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.441 ' HG2' ' HB2' ' A' ' 34' ' ' ASP . 29.5 Cg_endo -64.32 151.6 84.78 Favored 'Trans proline' 0 C--N 1.367 1.53 0 C-N-CA 122.207 1.938 . . . . 0.0 111.358 171.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' HG2' HD22 ' A' ' 25' ' ' LEU . 54.4 mtmt -60.14 -36.12 76.81 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.305 0.642 . . . . 0.0 111.039 176.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -49.78 -43.19 48.1 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.12 0.968 . . . . 0.0 111.397 174.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.441 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 31.7 t70 -73.27 -34.92 66.06 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.362 1.065 . . . . 0.0 111.993 -172.228 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.563 ' HB3' HD23 ' A' ' 69' ' ' LEU . 2.8 tm? -64.31 -48.59 75.04 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 174.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.531 HG23 ' HB3' ' A' ' 53' ' ' LEU . 81.3 mt -57.8 -39.82 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.711 177.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.8 m -62.67 -46.9 86.04 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.864 0.865 . . . . 0.0 111.158 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -58.08 -46.33 85.64 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.3 mp -62.64 -44.2 96.87 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.376 -177.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.448 ' HA ' HD21 ' A' ' 48' ' ' LEU . 9.8 pt20 -73.94 -18.8 60.84 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -178.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -79.91 -55.04 5.26 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 122.425 0.29 . . . . 0.0 111.302 173.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -85.85 -20.42 29.14 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -168.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.51 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . . . -92.85 173.77 7.58 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.545 0.688 . . . . 0.0 112.114 174.407 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.88 157.13 18.54 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 114.031 -1.441 . . . . 0.0 108.366 167.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.61 -28.2 44.9 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.884 0.874 . . . . 0.0 112.976 -173.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.82 -41.25 77.49 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.425 1.09 . . . . 0.0 112.612 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -65.24 -36.93 85.65 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.669 0.788 . . . . 0.0 110.794 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.462 HD12 ' HB2' ' A' ' 53' ' ' LEU . 2.1 mm? -79.83 -30.24 40.35 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.649 -177.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -69.3 -30.94 69.12 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 172.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -66.78 -56.94 8.21 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.907 0.883 . . . . 0.0 110.846 177.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -85.16 4.09 36.04 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.153 0.581 . . . . 0.0 112.112 -177.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 69.38 23.12 6.25 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 125.133 1.373 . . . . 0.0 111.755 175.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.531 ' HB3' HG23 ' A' ' 36' ' ' ILE . 22.0 mt -86.92 9.74 18.41 Favored 'General case' 0 CA--C 1.564 1.501 0 C-N-CA 124.683 1.193 . . . . 0.0 111.693 177.254 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -79.4 -4.85 52.99 Favored 'General case' 0 CA--C 1.565 1.524 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -92.33 -140.97 9.88 Favored Glycine 0 N--CA 1.487 2.091 0 CA-C-O 120.072 -0.293 . . . . 0.0 113.554 -176.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.5 t -95.97 125.75 40.74 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 170.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.489 ' HA ' HD12 ' A' ' 60' ' ' ILE . 4.7 m-20 -51.85 -25.19 7.32 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 124.449 1.1 . . . . 0.0 113.691 -171.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 61' ' ' ARG . 14.2 tmtt? -66.8 -56.09 11.97 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.831 0.852 . . . . 0.0 110.62 177.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.9 m -72.88 -27.61 62.01 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.826 -177.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.521 HD13 ' HA ' ' A' ' 53' ' ' LEU . 70.1 mt -64.66 -59.51 4.08 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.127 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 173.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 15.2 ptt180 -59.88 -25.78 65.35 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 122.884 0.474 . . . . 0.0 111.108 -175.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.06 -53.63 35.88 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 122.841 0.456 . . . . 0.0 110.119 171.295 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -85.13 1.43 47.95 Favored 'General case' 0 N--CA 1.499 1.977 0 C-N-CA 123.391 0.676 . . . . 0.0 112.321 -178.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.56 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -132.48 97.27 4.04 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -176.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -69.03 171.91 7.48 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.397 0.679 . . . . 0.0 110.947 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.511 ' O ' HG13 ' A' ' 70' ' ' ILE . 24.1 p -52.82 -43.65 66.12 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.77 179.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.425 ' HA ' HD12 ' A' ' 70' ' ' ILE . 46.1 m -47.33 -51.78 18.4 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.659 1.184 . . . . 0.0 112.638 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -60.56 -44.29 96.31 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.605 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.563 HD23 ' HB3' ' A' ' 35' ' ' LEU . 11.1 mp -69.7 -32.37 70.92 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.787 0.835 . . . . 0.0 112.889 -178.322 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 66' ' ' CYS . 30.1 mt -66.41 -53.63 34.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 177.294 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.04 -32.94 71.38 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 124.424 1.077 . . . . 0.0 111.683 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.49 -50.02 64.64 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.261 0.625 . . . . 0.0 111.679 176.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -68.35 -32.62 72.85 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.637 0.775 . . . . 0.0 110.611 -178.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -65.4 -59.74 3.7 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.57 -26.79 56.18 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 124.119 0.968 . . . . 0.0 112.081 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.51 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 4.5 t80 -68.57 -58.53 4.15 Favored 'General case' 0 C--O 1.252 1.187 0 C-N-CA 124.028 0.931 . . . . 0.0 110.58 177.449 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.41 ' HA ' HG22 ' A' ' 81' ' ' THR . 35.1 t -70.02 -25.5 63.6 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.492 -176.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -86.4 -25.11 25.46 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.015 0.926 . . . . 0.0 110.851 178.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -67.56 -27.79 67.24 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 168.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.82 45.75 1.87 Allowed Glycine 0 C--N 1.347 1.175 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.41 HG22 ' HA ' ' A' ' 77' ' ' CYS . 3.7 t -41.31 141.54 0.68 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.097 1.359 . . . . 0.0 113.889 -172.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.465 ' HD2' ' HA3' ' A' ' 88' ' ' GLY . 46.2 mtmt -57.92 -66.23 0.51 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.001 177.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.6 m 50.57 20.31 0.7 Allowed 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.716 1.206 . . . . 0.0 113.178 -177.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.671 ' HA2' ' HG3' ' A' ' 8' ' ' LYS . . . 66.5 17.74 66.97 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 114.878 0.711 . . . . 0.0 114.878 -175.366 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.578 HD23 ' HE3' ' A' ' 12' ' ' LYS . 70.9 mt -77.2 -30.64 54.81 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.054 0.941 . . . . 0.0 109.911 175.291 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -136.9 -177.49 4.77 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.395 1.078 . . . . 0.0 110.328 -177.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -62.42 134.11 55.98 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.399 1.079 . . . . 0.0 110.416 175.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.465 ' HA3' ' HD2' ' A' ' 82' ' ' LYS . . . . . . . . 0 CA--C 1.532 1.126 0 CA-C-O 118.79 -1.006 . . . . 0.0 112.652 -177.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.2 ttp . . . . . 0 N--CA 1.483 1.209 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.493 ' HE2' ' HB3' ' A' ' 4' ' ' SER . 22.0 tptm -86.52 87.69 7.49 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.81 -31.74 72.79 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.165 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.493 ' HB3' ' HE2' ' A' ' 2' ' ' LYS . 40.5 t -57.76 -39.64 77.86 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.725 1.21 . . . . 0.0 111.73 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.518 ' HA ' ' HB3' ' A' ' 8' ' ' LYS . 1.6 m-20 -99.52 20.13 14.44 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -176.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -70.88 -56.82 5.43 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 121.268 0.556 . . . . 0.0 110.081 177.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.27 -17.19 23.92 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.172 0.989 . . . . 0.0 110.425 176.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.518 ' HB3' ' HA ' ' A' ' 5' ' ' ASP . 40.8 tttm -90.99 65.35 5.61 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 167.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -54.67 132.63 45.94 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.136 -175.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -132.9 155.44 49.06 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.906 0.883 . . . . 0.0 109.616 -170.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.04 39.7 9.15 Favored Glycine 0 C--N 1.348 1.216 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -173.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.543 ' HE3' ' HG ' ' A' ' 85' ' ' LEU . 61.1 mttm -65.04 122.11 16.26 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.003 0.921 . . . . 0.0 110.503 -174.066 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.4 ptm -96.74 163.84 12.83 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.28 178.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.498 ' HA2' ' CZ2' ' A' ' 16' ' ' TRP . . . 78.51 17.09 78.34 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 114.446 -1.252 . . . . 0.0 115.867 166.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.2 m -90.13 80.2 6.34 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 117.505 0.652 . . . . 0.0 109.571 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.498 ' CZ2' ' HA2' ' A' ' 14' ' ' GLY . 2.9 m-90 -100.25 173.71 6.48 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.009 0.924 . . . . 0.0 109.61 178.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.6 m -82.65 159.66 22.62 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 168.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.534 HD12 ' HG2' ' A' ' 74' ' ' LYS . 49.3 mm -60.69 -47.9 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 123.073 0.549 . . . . 0.0 111.156 -176.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.633 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 48.7 mt-10 -68.8 -30.61 69.22 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.439 -177.22 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -62.53 -44.94 95.13 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 174.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.7 t -59.42 -62.16 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.829 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.633 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 13.5 pt-20 -63.79 -35.12 79.57 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 112.7 0.629 . . . . 0.0 112.7 -169.113 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -77.97 -45.44 23.88 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 122.437 0.295 . . . . 0.0 111.042 -178.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -84.43 -8.53 58.94 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.47 -175.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mt -63.71 119.27 9.6 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 118.178 0.445 . . . . 0.0 109.973 174.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.86 -21.65 11.09 Favored Glycine 0 C--N 1.338 0.655 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.501 -177.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.7 p -84.56 -176.74 6.37 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 171.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -96.69 -8.29 31.83 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 109.965 -0.384 . . . . 0.0 109.965 171.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -68.95 -46.3 68.55 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.37 82.88 62.1 Favored Pre-proline 0 N--CA 1.477 0.88 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 168.37 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.68 148.38 46.91 Favored 'Trans proline' 0 C--N 1.368 1.571 0 C-N-CA 121.609 1.539 . . . . 0.0 110.732 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -56.06 -40.26 73.28 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.59 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -57.19 -43.34 82.62 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.005 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.424 ' HA ' ' HB ' ' A' ' 37' ' ' THR . 26.2 t70 -78.65 -24.55 45.13 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -173.321 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.83 -51.0 53.52 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 173.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.9 mt -59.4 -39.01 78.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.235 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.424 ' HB ' ' HA ' ' A' ' 34' ' ' ASP . 16.2 m -58.63 -46.69 86.54 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 124.424 1.077 . . . . 0.0 110.684 175.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -55.3 -48.59 73.87 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 123.401 0.438 . . . . 0.0 110.172 176.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.8 mt -64.09 -40.17 95.64 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.669 -174.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.517 ' HA ' HD21 ' A' ' 48' ' ' LEU . 9.5 pt20 -81.36 -18.56 45.19 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -178.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -78.75 -55.43 5.18 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 120.899 0.381 . . . . 0.0 110.821 172.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -89.2 -18.65 26.69 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -165.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.49 175.24 5.54 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 118.565 0.621 . . . . 0.0 112.003 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -81.84 161.04 23.34 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.924 0.889 . . . . 0.0 110.212 175.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.29 -33.69 67.92 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.361 0.665 . . . . 0.0 110.717 177.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.86 -41.58 70.99 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.504 1.122 . . . . 0.0 112.071 177.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -66.93 -38.98 87.2 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.855 0.862 . . . . 0.0 110.592 -176.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.517 HD21 ' HA ' ' A' ' 40' ' ' GLN . 1.9 mm? -70.38 -45.02 66.84 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.107 178.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -60.31 -31.11 69.96 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.112 0.565 . . . . 0.0 110.973 176.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -69.3 -46.84 66.19 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.242 1.017 . . . . 0.0 110.718 177.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -96.59 13.11 29.29 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.168 0.587 . . . . 0.0 112.339 -178.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt 63.8 21.91 12.85 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 124.519 1.128 . . . . 0.0 112.424 175.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.495 ' HB2' HD12 ' A' ' 48' ' ' LEU . 13.4 mt -91.31 16.89 9.17 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 124.646 1.178 . . . . 0.0 111.378 178.154 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.3 t -81.71 -16.58 50.76 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.133 0.573 . . . . 0.0 112.438 -176.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.83 -168.58 39.59 Favored Glycine 0 N--CA 1.483 1.768 0 CA-C-O 119.823 -0.432 . . . . 0.0 112.558 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.2 t -71.59 136.28 47.34 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 117.685 0.742 . . . . 0.0 110.131 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.586 ' HA ' HD12 ' A' ' 60' ' ' ILE . 35.9 t-20 -59.03 -28.03 66.04 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.39 1.076 . . . . 0.0 112.042 -169.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -65.59 -48.53 72.0 Favored 'General case' 0 C--O 1.252 1.232 0 C-N-CA 123.621 0.768 . . . . 0.0 110.744 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.5 t -64.71 -37.81 88.85 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.176 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.586 HD12 ' HA ' ' A' ' 57' ' ' ASN . 56.8 mt -65.05 -50.94 72.08 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 C-N-CA 122.926 0.491 . . . . 0.0 110.568 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -65.13 -21.73 66.83 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.519 0.328 . . . . 0.0 110.97 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.19 -59.47 2.69 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 170.404 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -76.09 -44.3 39.43 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.043 0.449 . . . . 0.0 111.027 -169.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.62 124.28 28.0 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.753 0.821 . . . . 0.0 109.089 172.039 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -86.94 -179.05 6.44 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.224 174.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.452 ' O ' HG13 ' A' ' 70' ' ' ILE . 26.1 p -52.13 -43.51 64.04 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.797 0.839 . . . . 0.0 110.944 178.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.6 m -49.86 -46.38 51.38 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.92 1.288 . . . . 0.0 113.025 -176.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -65.62 -40.26 92.38 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.278 0.631 . . . . 0.0 111.071 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.2 mp -70.61 -37.79 73.9 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.739 -1.118 . . . . 0.0 111.394 -177.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.552 HG22 ' HE2' ' A' ' 74' ' ' LYS . 47.2 mt -66.89 -47.57 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.87 90.21 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.716 0.806 . . . . 0.0 111.439 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.58 -44.22 71.24 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.508 0.723 . . . . 0.0 112.262 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -67.8 -45.07 75.81 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 122.75 0.42 . . . . 0.0 110.102 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.552 ' HE2' HG22 ' A' ' 70' ' ' ILE . 55.0 mtmt -59.52 -46.7 88.09 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.982 175.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.566 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 35.7 t70 -53.75 -49.58 67.88 Favored 'General case' 0 C--O 1.195 -1.814 0 O-C-N 124.267 0.979 . . . . 0.0 109.805 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -63.62 -48.99 75.05 Favored 'General case' 0 C--O 1.251 1.162 0 C-N-CA 124.969 1.308 . . . . 0.0 111.715 -175.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 71.2 m -58.27 -40.74 82.68 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.282 0.633 . . . . 0.0 111.057 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -82.98 -22.72 33.6 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.113 0.965 . . . . 0.0 111.485 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.566 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 0.6 OUTLIER -73.73 -25.13 60.05 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 124.633 1.173 . . . . 0.0 110.239 -178.036 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 106.69 48.8 0.94 Allowed Glycine 0 C--N 1.346 1.132 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.546 -172.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.6 t -40.43 135.42 1.51 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.178 1.391 . . . . 0.0 113.516 -176.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -112.17 36.7 3.25 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.33 -167.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.4 m -44.65 -19.14 0.02 OUTLIER 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 125.438 1.495 . . . . 0.0 113.816 174.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.72 32.45 0.51 Allowed Glycine 0 C--N 1.352 1.417 0 C-N-CA 123.008 0.337 . . . . 0.0 113.513 169.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.543 ' HG ' ' HE3' ' A' ' 12' ' ' LYS . 95.8 mt -126.74 -62.13 1.15 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.826 1.251 . . . . 0.0 107.89 171.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -84.9 142.43 29.7 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.097 176.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -85.11 116.25 23.38 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 172.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.178 0 CA-C-O 119.013 -0.882 . . . . 0.0 111.433 177.036 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -128.31 92.47 3.45 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.1 0.96 . . . . 0.0 108.839 176.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -100.16 -27.69 13.4 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.52 0.728 . . . . 0.0 111.104 -172.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.7 t -68.38 -54.49 16.88 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.976 0.511 . . . . 0.0 110.546 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.455 ' HA ' ' HB3' ' A' ' 8' ' ' LYS . 5.0 p-10 -79.49 -1.28 36.81 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.688 0.795 . . . . 0.0 112.071 178.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -64.92 -59.0 4.67 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.935 0.894 . . . . 0.0 110.726 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -78.91 -22.97 45.09 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.152 178.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.455 ' HB3' ' HA ' ' A' ' 5' ' ' ASP . 55.6 tttm -82.08 -7.87 59.64 Favored 'General case' 0 CA--C 1.56 1.335 0 C-N-CA 123.862 0.865 . . . . 0.0 110.924 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -65.08 154.42 37.92 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.342 1.057 . . . . 0.0 111.202 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -56.84 154.23 9.64 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.494 0.717 . . . . 0.0 110.815 172.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.75 38.56 4.64 Favored Glycine 0 N--CA 1.468 0.797 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -169.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -65.25 126.91 29.64 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.603 1.161 . . . . 0.0 110.853 -177.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.24 148.34 8.69 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.368 1.067 . . . . 0.0 111.704 -174.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.26 35.3 53.15 Favored Glycine 0 C--N 1.338 0.674 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.523 -176.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.8 p -95.17 89.34 5.49 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -96.96 176.2 6.05 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.338 0.655 . . . . 0.0 110.363 -174.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.7 m -85.75 157.51 20.25 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.58 0.752 . . . . 0.0 109.143 170.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.562 HD12 ' HG2' ' A' ' 74' ' ' LYS . 46.8 mm -61.22 -49.45 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 123.049 0.54 . . . . 0.0 110.593 -178.469 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.623 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 50.4 mt-10 -72.37 -24.16 61.23 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.95 -178.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -63.13 -51.6 65.83 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 170.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.3 t -55.58 -58.45 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.692 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.623 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.8 pt-20 -64.43 -44.04 92.41 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -173.07 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -77.59 -22.91 50.17 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.896 0.478 . . . . 0.0 112.069 -174.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -102.5 -7.78 21.61 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 118.849 -0.596 . . . . 0.0 111.519 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.3 mt -59.34 113.4 2.15 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 118.71 0.686 . . . . 0.0 111.254 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.52 -2.08 21.92 Favored Glycine 0 C--N 1.343 0.924 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.957 -178.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.8 p -102.17 -173.52 2.36 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 117.606 0.703 . . . . 0.0 110.547 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -79.77 -27.12 40.47 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.669 0.788 . . . . 0.0 110.246 171.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -74.29 -32.89 63.07 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.674 0.789 . . . . 0.0 111.509 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -151.41 83.71 5.37 Favored Pre-proline 0 N--CA 1.474 0.729 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 173.877 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.98 156.64 38.72 Favored 'Trans proline' 0 CA--C 1.547 1.159 0 C-N-CA 122.081 1.854 . . . . 0.0 111.59 172.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -56.19 -44.99 79.97 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.833 0.853 . . . . 0.0 111.465 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -61.0 -41.64 96.91 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.492 0.717 . . . . 0.0 111.689 -176.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -63.46 -40.65 97.7 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.559 0.744 . . . . 0.0 111.327 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.465 HD11 ' HB2' ' A' ' 73' ' ' TYR . 57.8 tp -60.48 -55.76 29.55 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.388 175.436 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.471 HG22 ' NE2' ' A' ' 40' ' ' GLN . 66.5 mt -51.91 -39.24 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 124.511 1.124 . . . . 0.0 111.243 177.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.5 m -63.07 -48.34 79.07 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.091 0.956 . . . . 0.0 111.313 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -56.83 -43.9 81.53 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 176.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.439 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 9.3 mp -64.67 -38.94 92.7 Favored 'General case' 0 C--O 1.212 -0.875 0 C-N-CA 123.18 0.592 . . . . 0.0 111.508 -176.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.471 ' NE2' HG22 ' A' ' 36' ' ' ILE . 1.1 pt20 -83.55 -19.09 36.26 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.885 -0.509 . . . . 0.0 112.133 -179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -81.12 -44.14 18.37 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 120.566 0.222 . . . . 0.0 110.8 174.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -91.11 -40.79 11.4 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.902 0.481 . . . . 0.0 111.884 -172.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 39' ' ' LEU . . . -86.48 156.8 19.97 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 121.02 0.438 . . . . 0.0 111.291 179.099 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -80.23 162.59 24.56 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.768 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.63 -37.94 43.3 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 124.255 1.022 . . . . 0.0 112.729 -174.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.2 -42.71 77.62 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.282 1.033 . . . . 0.0 112.439 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -64.33 -43.45 94.62 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.291 -176.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.461 HD21 ' HA ' ' A' ' 40' ' ' GLN . 1.5 mm? -69.43 -36.51 76.73 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.424 179.16 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -67.4 -28.14 67.67 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.472 0.309 . . . . 0.0 111.418 176.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -73.96 -56.26 5.16 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.547 0.739 . . . . 0.0 110.07 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -86.13 11.83 10.98 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.344 0.658 . . . . 0.0 112.428 -175.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.43 ' HE3' ' HA ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER 70.91 19.97 5.55 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 125.121 1.368 . . . . 0.0 111.97 171.343 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.4 mt -90.74 4.18 52.29 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.283 1.033 . . . . 0.0 111.743 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -72.46 -14.59 61.72 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -177.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -81.63 -171.04 45.05 Favored Glycine 0 C--N 1.347 1.19 0 N-CA-C 112.405 -0.278 . . . . 0.0 112.405 175.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.6 t -74.45 138.3 43.17 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 177.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.516 ' HA ' HD12 ' A' ' 60' ' ' ILE . 4.1 m-20 -57.18 -26.01 59.92 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.156 0.982 . . . . 0.0 112.935 -175.08 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -56.82 -55.0 40.01 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.91 0.884 . . . . 0.0 110.017 175.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.0 m -65.36 -39.18 92.01 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.409 -1.269 . . . . 0.0 111.237 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 57' ' ' ASN . 31.3 mt -66.69 -53.06 38.73 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 123.165 0.291 . . . . 0.0 111.111 -175.472 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 9.2 ptm180 -64.61 -40.39 95.41 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.3 0.24 . . . . 0.0 110.774 -178.035 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -74.12 -43.62 56.84 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 122.515 0.326 . . . . 0.0 111.088 -173.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -82.26 -53.74 5.81 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -176.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.441 HH11 ' HA ' ' A' ' 60' ' ' ILE . 2.9 mpt_? -80.59 126.85 31.77 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.881 -173.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -73.21 178.32 4.53 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.229 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.424 ' O ' HG13 ' A' ' 70' ' ' ILE . 26.6 p -60.93 -44.12 97.67 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 122.809 0.444 . . . . 0.0 112.002 -174.316 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.504 ' HA ' HD12 ' A' ' 70' ' ' ILE . 50.1 m -54.67 -37.62 65.96 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -173.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -58.97 -46.01 89.13 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.858 0.837 . . . . 0.0 110.519 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.453 ' HB3' HD23 ' A' ' 35' ' ' LEU . 41.2 mt -78.13 -33.43 50.45 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 114.186 -1.37 . . . . 0.0 111.064 -172.527 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 67' ' ' SER . 43.1 mt -63.21 -50.43 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 173.197 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.88 -38.6 76.05 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.159 0.984 . . . . 0.0 111.19 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.3 -48.52 67.4 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.051 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.465 ' HB2' HD11 ' A' ' 35' ' ' LEU . 85.5 t80 -63.25 -44.66 94.54 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 122.9 0.48 . . . . 0.0 110.826 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.562 ' HG2' HD12 ' A' ' 18' ' ' ILE . 53.8 mtmt -57.74 -54.01 51.72 Favored 'General case' 0 C--O 1.208 -1.12 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.544 177.369 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 30.8 t70 -54.29 -45.09 72.45 Favored 'General case' 0 C--O 1.205 -1.274 0 O-C-N 124.213 0.946 . . . . 0.0 111.373 -176.114 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.64 -51.33 70.37 Favored 'General case' 0 C--O 1.253 1.245 0 C-N-CA 124.337 1.055 . . . . 0.0 110.689 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.686 ' SG ' ' HB2' ' A' ' 87' ' ' GLN . 48.2 t -61.28 -44.02 97.91 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 114.136 -1.393 . . . . 0.0 110.94 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -75.06 -24.24 58.2 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 125.411 1.485 . . . . 0.0 110.869 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.436 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 60.0 t60 -75.78 -19.38 59.04 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.301 1.041 . . . . 0.0 108.971 176.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.88 43.83 2.19 Favored Glycine 0 C--N 1.35 1.31 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 171.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.9 t -42.8 143.26 0.74 Allowed 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 115.427 1.64 . . . . 0.0 115.427 -163.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -63.05 -11.44 19.51 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 113.09 -1.868 . . . . 0.0 112.7 177.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.4 m -60.23 -35.71 76.07 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.068 0.947 . . . . 0.0 111.351 171.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.04 10.16 8.37 Favored Glycine 0 C--N 1.35 1.344 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.703 -175.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.8 mt -106.51 84.2 1.98 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.328 0.651 . . . . 0.0 110.096 -178.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -85.88 74.93 10.08 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 171.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.686 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . 14.2 mm-40 -125.12 148.98 48.31 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.282 -173.234 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 119.094 -0.837 . . . . 0.0 111.017 -176.865 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.9 tmm? . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -141.68 105.39 4.71 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.835 0.854 . . . . 0.0 109.21 175.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -94.94 -21.09 18.86 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.592 0.757 . . . . 0.0 109.142 167.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.5 m -71.01 -39.49 72.37 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.776 0.83 . . . . 0.0 111.897 -174.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -65.67 -22.5 66.64 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 123.552 0.741 . . . . 0.0 111.792 -176.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -57.39 -43.89 84.06 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.454 1.102 . . . . 0.0 110.453 173.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.412 ' HB3' ' HD2' ' A' ' 82' ' ' LYS . 30.2 mm-40 -91.63 -29.48 16.87 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.322 0.649 . . . . 0.0 110.637 178.063 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -118.24 73.18 0.89 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.654 1.182 . . . . 0.0 108.862 -174.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -67.46 148.7 51.19 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.701 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -105.42 152.89 22.42 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 173.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.9 38.34 19.89 Favored Glycine 0 C--N 1.344 1.01 0 N-CA-C 111.781 -0.528 . . . . 0.0 111.781 -173.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -68.63 107.21 2.88 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.474 1.11 . . . . 0.0 111.589 -171.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -74.16 175.29 7.66 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.983 0.913 . . . . 0.0 110.64 175.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.24 23.03 46.08 Favored Glycine 0 C--N 1.346 1.116 0 N-CA-C 116.084 1.193 . . . . 0.0 116.084 164.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.2 m -88.23 90.96 8.6 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 177.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -102.41 173.04 6.53 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.777 0.831 . . . . 0.0 110.22 -176.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.2 m -86.72 164.92 16.46 Favored 'General case' 0 C--O 1.247 0.928 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 162.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.4 mm -59.47 -40.55 82.08 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 122.992 0.517 . . . . 0.0 110.557 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.524 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 46.4 mt-10 -61.11 -41.69 97.15 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.803 0.841 . . . . 0.0 112.777 -177.067 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -61.58 -41.44 97.4 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 118.407 0.549 . . . . 0.0 110.366 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.68 -60.95 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.993 177.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.524 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 10.7 pt-20 -65.93 -27.36 68.12 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -170.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -89.65 -38.02 14.21 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 122.329 0.252 . . . . 0.0 111.506 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -102.04 2.34 37.56 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.593 0.357 . . . . 0.0 111.784 -173.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.543 HD22 ' HG2' ' A' ' 32' ' ' LYS . 2.3 mt -65.03 120.53 12.8 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 120.805 0.336 . . . . 0.0 111.205 178.416 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.89 -21.12 16.49 Favored Glycine 0 C--N 1.339 0.719 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.849 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.0 p -89.86 -179.73 5.79 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.235 0.614 . . . . 0.0 109.816 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -80.14 -17.08 53.47 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.729 0.412 . . . . 0.0 110.408 173.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -71.3 -33.21 69.5 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.984 0.914 . . . . 0.0 110.47 177.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -151.32 85.99 4.86 Favored Pre-proline 0 N--CA 1.476 0.85 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 172.154 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.4 150.11 87.37 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 122.352 2.035 . . . . 0.0 112.071 173.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.543 ' HG2' HD22 ' A' ' 25' ' ' LEU . 55.8 mtmt -60.46 -37.84 82.3 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.294 172.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -65.99 -46.34 78.36 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.505 0.722 . . . . 0.0 109.871 -176.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.37 -40.29 93.76 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.422 1.089 . . . . 0.0 111.123 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.487 HD23 ' HB3' ' A' ' 69' ' ' LEU . 53.9 tp -62.46 -52.94 61.55 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.996 176.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.5 mt -55.11 -37.91 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 124.185 0.994 . . . . 0.0 111.294 176.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 86.9 m -66.57 -47.81 71.61 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.488 0.715 . . . . 0.0 110.303 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -56.98 -42.7 80.69 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.031 0.532 . . . . 0.0 110.299 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.56 -47.69 82.73 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.074 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.418 ' HA ' HD21 ' A' ' 48' ' ' LEU . 10.1 pt20 -74.03 -18.42 60.84 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -84.19 -40.45 18.13 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 175.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.401 HD22 ' N ' ' A' ' 42' ' ' ASN . 1.1 m-80 -96.23 -20.35 18.63 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -172.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.547 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . . . -90.07 170.47 10.3 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.779 0.8 . . . . 0.0 112.366 174.3 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -86.54 158.35 19.55 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 113.983 -1.462 . . . . 0.0 108.741 164.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.0 -28.85 64.79 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.532 0.733 . . . . 0.0 112.678 -169.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.53 -40.86 69.07 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.382 1.073 . . . . 0.0 112.25 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -63.38 -39.69 95.2 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.556 -176.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.452 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.3 mm? -79.21 -27.82 42.54 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.212 -177.243 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -76.37 -18.25 58.98 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.002 0.521 . . . . 0.0 110.738 173.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -78.51 -60.41 2.38 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 171.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -82.71 9.35 9.81 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.473 0.709 . . . . 0.0 112.433 -175.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? 65.34 21.56 11.97 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 124.326 1.05 . . . . 0.0 111.682 174.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.523 ' HA ' HD13 ' A' ' 60' ' ' ILE . 26.2 mt -86.01 5.96 30.99 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 123.881 0.872 . . . . 0.0 111.211 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.9 t -85.34 -6.46 59.23 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.185 0.594 . . . . 0.0 112.371 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.83 -152.36 7.44 Favored Glycine 0 C--N 1.354 1.545 0 N-CA-C 112.392 -0.283 . . . . 0.0 112.392 176.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.5 t -90.61 127.08 36.16 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 174.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.489 ' HA ' HD12 ' A' ' 60' ' ' ILE . 4.9 m-20 -54.03 -28.24 37.15 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 124.08 0.952 . . . . 0.0 113.344 -170.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -59.8 -55.36 35.23 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 123.564 0.746 . . . . 0.0 110.911 176.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 96.0 p -68.19 -43.51 77.96 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.055 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.523 HD13 ' HA ' ' A' ' 53' ' ' LEU . 69.7 mt -54.24 -52.07 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.827 0.851 . . . . 0.0 111.372 -177.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.1 ptt85 -70.96 -27.1 63.49 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.443 0.464 . . . . 0.0 110.728 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -72.05 -33.29 67.84 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 122.318 0.247 . . . . 0.0 111.365 178.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -86.33 -37.54 18.38 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.675 0.39 . . . . 0.0 110.611 179.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 87.6 mtt-85 -97.89 125.12 42.63 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.195 0.598 . . . . 0.0 110.755 -178.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -78.23 -178.01 5.44 Favored 'General case' 0 C--O 1.248 1.009 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.344 171.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.424 ' O ' HG13 ' A' ' 70' ' ' ILE . 62.2 m -56.89 -43.45 81.34 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.12 -176.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.8 m -54.45 -43.05 71.31 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 124.093 0.957 . . . . 0.0 113.536 -171.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -63.47 -39.45 94.49 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.545 0.738 . . . . 0.0 111.676 178.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.487 ' HB3' HD23 ' A' ' 35' ' ' LEU . 58.1 mt -81.77 -29.98 32.55 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.107 -173.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.437 HG22 ' HD2' ' A' ' 74' ' ' LYS . 77.3 mt -59.22 -57.27 12.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 167.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.9 -33.65 70.77 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.445 1.098 . . . . 0.0 111.685 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.82 -48.28 74.96 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.174 0.59 . . . . 0.0 111.016 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.465 ' HB2' HD11 ' A' ' 35' ' ' LEU . 71.9 t80 -68.02 -33.43 74.59 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 122.919 0.488 . . . . 0.0 111.358 -179.252 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HD2' HG22 ' A' ' 70' ' ' ILE . 59.4 mtpt -66.45 -55.89 13.56 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -55.87 -32.82 64.02 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.083 0.953 . . . . 0.0 111.251 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.547 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 5.8 t80 -66.16 -51.39 58.31 Favored 'General case' 0 C--O 1.253 1.288 0 C-N-CA 125.207 1.403 . . . . 0.0 111.309 178.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 86' ' ' ASN . 44.2 t -66.42 -44.54 82.63 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.686 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -66.48 -29.04 69.07 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.017 0.927 . . . . 0.0 110.868 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -67.55 -35.26 78.71 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.878 0.871 . . . . 0.0 110.081 174.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.38 45.67 2.31 Favored Glycine 0 C--N 1.346 1.126 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.116 177.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.1 t -42.83 155.57 0.05 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 125.05 1.34 . . . . 0.0 114.356 -176.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.412 ' HD2' ' HB3' ' A' ' 7' ' ' GLU . 49.7 mtmt -65.29 -13.73 59.11 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.967 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.3 t -66.68 -26.47 67.05 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 122.933 0.493 . . . . 0.0 110.787 170.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 102.0 4.91 50.89 Favored Glycine 0 N--CA 1.468 0.77 0 CA-C-N 116.516 -0.311 . . . . 0.0 112.704 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.6 mt -78.23 113.66 16.4 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 174.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.528 ' HA ' ' O ' ' A' ' 77' ' ' CYS . 2.5 t-20 -144.6 13.13 1.53 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.936 0.894 . . . . 0.0 109.875 176.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -77.2 96.78 4.61 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.898 0.879 . . . . 0.0 109.989 -172.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 CA-C-O 118.916 -0.935 . . . . 0.0 110.922 176.736 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.485 1.309 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -125.81 88.87 2.93 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 121.812 0.815 . . . . 0.0 110.904 -178.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -78.79 -26.73 44.44 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.599 177.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.3 p -62.64 -34.36 76.91 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.4 1.08 . . . . 0.0 111.323 176.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.78 -16.54 50.63 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.794 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -75.88 -38.82 57.47 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 173.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -68.72 -61.25 1.89 Allowed 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.733 174.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.442 ' HA ' HD23 ' A' ' 85' ' ' LEU . 5.0 ttmp? -88.28 69.89 9.13 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 177.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -89.97 143.91 26.38 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.51 -1.223 . . . . 0.0 111.176 -174.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -92.55 159.17 15.62 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.73 1.212 . . . . 0.0 109.275 174.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.07 41.63 7.01 Favored Glycine 0 C--N 1.343 0.942 0 C-N-CA 121.28 -0.486 . . . . 0.0 112.782 175.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.547 ' HD2' HD11 ' A' ' 85' ' ' LEU . 19.4 mtpp -62.67 116.28 5.04 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.285 0.634 . . . . 0.0 110.511 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.426 ' SD ' ' HD3' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -66.74 127.34 32.08 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 123.6 0.563 . . . . 0.0 109.498 175.306 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.73 42.7 97.05 Favored Glycine 0 CA--C 1.528 0.854 0 O-C-N 124.009 0.818 . . . . 0.0 114.725 173.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.2 t -79.1 93.65 5.2 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 172.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -103.45 -178.77 3.76 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.19 0.596 . . . . 0.0 110.271 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.4 m -104.65 164.56 11.68 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.644 0.778 . . . . 0.0 109.484 166.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.5 mm -55.54 -42.3 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 123.81 0.844 . . . . 0.0 111.092 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.604 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 40.1 mt-10 -70.86 -35.76 72.53 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.153 -175.567 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -62.56 -42.96 99.87 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-O 121.414 0.626 . . . . 0.0 109.529 173.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.3 t -60.92 -57.52 11.7 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.722 178.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.604 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.9 pt-20 -63.97 -39.1 93.37 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.247 0.619 . . . . 0.0 112.318 -172.583 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -78.52 -37.0 44.12 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.299 -175.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -100.69 -5.03 27.11 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -173.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.507 HD22 ' HG2' ' A' ' 32' ' ' LYS . 3.4 mt -63.24 117.49 6.65 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-N 118.779 0.718 . . . . 0.0 111.37 -179.172 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.15 -17.39 22.01 Favored Glycine 0 C--N 1.344 1.017 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.559 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.8 p -83.15 -176.44 6.33 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 122.89 0.476 . . . . 0.0 109.997 176.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -90.19 -4.34 57.3 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.611 0.364 . . . . 0.0 110.571 171.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -79.67 -41.99 25.71 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.398 0.679 . . . . 0.0 109.692 173.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.68 85.81 29.67 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 172.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -69.08 145.7 61.93 Favored 'Trans proline' 0 C--N 1.367 1.504 0 C-N-CA 121.776 1.651 . . . . 0.0 111.112 174.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.507 ' HG2' HD22 ' A' ' 25' ' ' LEU . 54.4 mtmt -58.16 -38.46 76.68 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.698 0.799 . . . . 0.0 111.086 -178.426 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -54.33 -48.42 71.41 Favored 'General case' 0 N--CA 1.478 0.925 0 O-C-N 123.857 0.723 . . . . 0.0 111.513 175.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -69.85 -29.82 67.15 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.385 0.674 . . . . 0.0 111.535 -172.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.481 HD12 ' HB3' ' A' ' 69' ' ' LEU . 2.4 tm? -62.96 -52.62 62.3 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 172.134 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.466 HG12 HD22 ' A' ' 53' ' ' LEU . 70.5 mt -56.43 -39.28 60.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 CA-C-N 114.677 -1.147 . . . . 0.0 111.131 176.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 76.1 m -64.76 -48.82 73.14 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.853 0.861 . . . . 0.0 109.99 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -53.85 -48.65 69.78 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.069 0.548 . . . . 0.0 110.444 177.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.72 -39.55 93.84 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.632 -174.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -77.35 -18.25 57.56 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.896 -0.502 . . . . 0.0 112.088 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HD3' ' SD ' ' A' ' 13' ' ' MET . 31.0 mtpp -84.59 -34.81 23.09 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.536 0.334 . . . . 0.0 111.872 173.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -99.25 -22.28 15.69 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -172.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.91 179.62 4.28 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.128 0.571 . . . . 0.0 111.43 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -100.33 161.51 13.55 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.195 0.998 . . . . 0.0 109.843 175.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.48 -37.05 36.53 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 124.327 1.051 . . . . 0.0 113.601 -172.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.13 -42.38 80.81 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.019 0.928 . . . . 0.0 112.137 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -63.98 -39.42 94.08 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.487 -176.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.444 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.7 mm? -76.21 -34.23 59.26 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.711 -178.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -70.89 -22.27 62.29 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 116.82 -0.173 . . . . 0.0 111.069 175.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -73.82 -57.95 3.63 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.681 0.792 . . . . 0.0 109.978 173.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -85.72 9.77 15.43 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -173.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.493 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 11.2 mmpt? 70.05 19.99 6.63 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 124.739 1.215 . . . . 0.0 111.87 174.07 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.524 ' HA ' HD13 ' A' ' 60' ' ' ILE . 22.2 mt -90.3 4.08 51.78 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 124.461 1.104 . . . . 0.0 111.862 -178.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.3 t -78.37 -20.14 51.88 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -177.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -83.37 -154.04 16.18 Favored Glycine 0 C--N 1.35 1.356 0 O-C-N 123.164 0.29 . . . . 0.0 113.698 -173.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.416 ' O ' HG13 ' A' ' 60' ' ' ILE . 2.6 t -78.28 123.28 26.78 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 171.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.547 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.8 m-20 -54.31 -26.79 31.43 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.091 0.956 . . . . 0.0 112.911 -175.054 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -55.76 -56.61 18.47 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.436 0.695 . . . . 0.0 110.83 172.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.1 m -72.24 -29.17 63.67 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.332 -177.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 57' ' ' ASN . 62.7 mt -66.81 -51.11 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 123.141 0.276 . . . . 0.0 110.56 -178.218 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 12.5 ptt180 -73.39 -25.57 60.62 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 117.786 0.266 . . . . 0.0 111.426 178.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -67.93 -45.57 73.94 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.768 0.427 . . . . 0.0 111.1 174.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -81.15 -40.43 23.99 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.449 0.699 . . . . 0.0 110.883 -176.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -105.27 116.54 32.12 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.014 -175.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -77.56 -174.16 3.27 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.184 0.593 . . . . 0.0 110.668 177.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.427 ' O ' HG13 ' A' ' 70' ' ' ILE . 22.5 p -49.71 -49.23 48.64 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.168 0.987 . . . . 0.0 111.946 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.1 m -53.72 -41.63 67.21 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.9 1.28 . . . . 0.0 113.114 -172.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -62.01 -46.91 87.12 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 123.66 0.6 . . . . 0.0 110.404 177.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.481 ' HB3' HD12 ' A' ' 35' ' ' LEU . 57.0 mt -76.37 -25.83 55.03 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.524 -173.223 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 66' ' ' CYS . 73.0 mt -66.76 -52.89 40.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 171.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.62 -29.92 69.54 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.862 0.865 . . . . 0.0 111.962 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.42 -51.12 31.77 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.315 0.646 . . . . 0.0 110.961 177.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -65.44 -37.14 86.0 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.459 0.703 . . . . 0.0 110.369 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.457 ' O ' ' HG2' ' A' ' 78' ' ' GLU . 57.2 mtpt -60.95 -59.73 4.91 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.797 0.839 . . . . 0.0 109.488 176.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -56.28 -33.93 65.98 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 123.955 0.785 . . . . 0.0 111.287 -176.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -64.83 -56.5 13.07 Favored 'General case' 0 C--O 1.252 1.187 0 C-N-CA 123.86 0.864 . . . . 0.0 110.768 177.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.421 ' HA ' HG22 ' A' ' 81' ' ' THR . 74.4 m -62.67 -34.71 77.67 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.023 -178.253 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 16.0 mm-40 -81.64 -30.11 32.92 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.713 0.805 . . . . 0.0 110.773 -178.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -71.2 -22.15 62.05 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.018 0.527 . . . . 0.0 110.117 175.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.83 48.35 1.18 Allowed Glycine 0 C--N 1.347 1.189 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.24 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.421 HG22 ' HA ' ' A' ' 77' ' ' CYS . 1.0 OUTLIER -37.97 123.76 1.11 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.625 1.57 . . . . 0.0 113.459 -174.065 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -60.35 -66.02 0.59 Allowed 'General case' 0 C--O 1.239 0.549 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.843 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.8 t 53.81 22.69 3.36 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 124.109 0.964 . . . . 0.0 111.112 -167.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.04 -14.74 10.01 Favored Glycine 0 CA--C 1.542 1.727 0 C-N-CA 123.385 0.516 . . . . 0.0 114.127 -173.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.547 HD11 ' HD2' ' A' ' 12' ' ' LYS . 22.7 mt -77.36 -64.14 1.21 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.963 0.905 . . . . 0.0 110.282 -172.237 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -102.0 162.9 12.56 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.248 1.019 . . . . 0.0 110.019 178.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -148.82 98.06 2.8 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.073 0.949 . . . . 0.0 108.466 172.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.637 0 CA-C-O 118.852 -0.971 . . . . 0.0 112.678 178.237 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -85.72 92.89 8.72 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -65.76 -33.1 75.09 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.968 177.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.5 t -73.28 -1.34 17.54 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 124.759 1.224 . . . . 0.0 112.823 -177.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.43 -20.97 62.04 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.752 0.821 . . . . 0.0 110.882 173.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.47 ' N ' ' HE2' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -80.31 -13.26 59.33 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.919 0.488 . . . . 0.0 110.854 173.805 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -94.4 -40.87 9.7 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.497 0.719 . . . . 0.0 109.406 171.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -95.64 81.05 3.46 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 177.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.516 ' HB2' ' HD2' ' A' ' 12' ' ' LYS . 19.5 mm-40 -62.68 149.55 43.32 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 113.744 -1.571 . . . . 0.0 111.982 177.454 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -126.81 155.67 42.5 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.291 1.037 . . . . 0.0 109.698 -177.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.09 17.04 68.09 Favored Glycine 0 C--N 1.344 0.983 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.718 -177.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.516 ' HD2' ' HB2' ' A' ' 9' ' ' GLU . 47.7 mtpt -80.48 85.75 5.88 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.252 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.86 155.48 16.76 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.513 -178.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.38 46.65 68.67 Favored Glycine 0 CA--C 1.526 0.743 0 O-C-N 123.332 0.395 . . . . 0.0 113.912 175.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.5 p -84.28 88.73 7.25 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 174.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 -90.54 171.73 9.2 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.355 0.662 . . . . 0.0 111.8 -171.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.2 m -78.05 158.47 29.18 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.578 166.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.453 HD11 ' SG ' ' A' ' 77' ' ' CYS . 49.6 mm -60.15 -42.48 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 174.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.628 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 43.8 mt-10 -70.75 -31.61 68.49 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.148 -178.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -63.81 -44.74 92.37 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.3 t -59.75 -62.09 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.539 177.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.628 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.5 pt-20 -59.76 -40.15 87.19 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -171.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -76.34 -45.3 32.76 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.584 -175.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -90.8 -2.05 57.81 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 118.913 -0.565 . . . . 0.0 111.845 -173.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.92 112.85 2.22 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 118.345 0.52 . . . . 0.0 111.064 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.84 -9.56 23.4 Favored Glycine 0 C--N 1.345 1.047 0 CA-C-N 115.744 -0.662 . . . . 0.0 113.543 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.1 p -91.08 -174.64 4.05 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 117.67 0.735 . . . . 0.0 111.268 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -74.57 -25.64 59.42 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.544 0.738 . . . . 0.0 110.938 170.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -77.08 -39.41 49.81 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.727 0.811 . . . . 0.0 111.378 -177.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.448 HD11 HD23 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -141.46 80.2 16.56 Favored Pre-proline 0 CA--C 1.545 0.781 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 177.411 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -59.78 153.61 55.25 Favored 'Trans proline' 0 C--N 1.372 1.801 0 C-N-CA 121.928 1.752 . . . . 0.0 112.091 170.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -59.13 -41.1 87.45 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.961 173.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.465 ' HB2' ' HD2' ' A' ' 61' ' ' ARG . 3.7 t30 -66.06 -41.52 90.66 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 115.08 -0.963 . . . . 0.0 110.413 -176.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.2 -39.12 91.68 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.714 1.206 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.548 HD12 ' HB3' ' A' ' 69' ' ' LEU . 2.7 tm? -64.61 -49.87 69.39 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.8 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.8 mt -58.99 -41.95 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 C-N-CA 124.109 0.964 . . . . 0.0 111.163 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.3 m -59.75 -49.04 79.27 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.729 178.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -54.67 -49.74 69.9 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.863 0.465 . . . . 0.0 110.755 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 83.7 mt -57.73 -42.87 84.74 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.012 -175.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -79.92 -21.92 43.35 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -75.1 -34.26 61.7 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.698 0.399 . . . . 0.0 111.681 176.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -95.69 -33.24 12.39 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.43 155.64 19.57 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -83.6 161.49 21.12 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.012 168.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.73 -32.86 14.55 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.309 1.044 . . . . 0.0 113.785 -168.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.74 -43.25 65.6 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 124.372 1.069 . . . . 0.0 112.184 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -67.31 -40.4 85.99 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.507 -176.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.404 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.3 mm? -75.64 -28.41 58.78 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.689 -178.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -77.54 -19.99 54.89 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.153 0.581 . . . . 0.0 110.511 175.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -75.45 -56.09 5.04 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.878 0.471 . . . . 0.0 110.702 171.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -85.42 4.56 34.94 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -175.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? 67.04 21.42 10.23 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 124.702 1.201 . . . . 0.0 111.152 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.495 ' HA ' HD13 ' A' ' 60' ' ' ILE . 19.9 mt -83.17 1.65 39.5 Favored 'General case' 0 CA--C 1.559 1.315 0 C-N-CA 124.032 0.933 . . . . 0.0 110.652 177.375 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -71.1 -22.08 62.14 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.182 0.993 . . . . 0.0 112.699 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -77.54 -168.04 30.15 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-O 120.316 -0.158 . . . . 0.0 113.042 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 t -70.9 130.04 40.6 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 117.099 0.449 . . . . 0.0 110.37 174.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.634 ' HA ' HD12 ' A' ' 60' ' ' ILE . 7.3 m-20 -55.38 -25.89 38.08 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 124.323 1.049 . . . . 0.0 113.748 -173.483 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -63.84 -50.91 67.02 Favored 'General case' 0 C--O 1.254 1.313 0 C-N-CA 123.465 0.706 . . . . 0.0 111.124 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 m -66.75 -34.76 78.56 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.948 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.634 HD12 ' HA ' ' A' ' 57' ' ' ASN . 52.1 mt -65.94 -55.16 20.58 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.973 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.817 -178.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.465 ' HD2' ' HB2' ' A' ' 33' ' ' ASN . 2.5 ptm180 -60.92 -30.34 70.14 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 122.755 0.422 . . . . 0.0 111.342 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -70.11 -48.68 56.56 Favored 'General case' 0 CA--C 1.556 1.191 0 O-C-N 123.221 0.325 . . . . 0.0 110.785 178.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -82.67 -46.65 12.96 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.033 0.533 . . . . 0.0 110.932 -172.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.42 ' HD2' ' N ' ' A' ' 64' ' ' ARG . 4.2 mpt_? -79.29 123.81 27.8 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.215 1.006 . . . . 0.0 109.001 177.223 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -88.49 -176.03 5.17 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.257 178.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.47 ' O ' HG13 ' A' ' 70' ' ' ILE . 24.3 p -54.29 -49.59 69.28 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.6 0.76 . . . . 0.0 111.444 -178.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.9 m -57.62 -39.77 77.65 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.78 0.832 . . . . 0.0 113.224 -172.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -61.99 -41.24 97.82 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.122 0.487 . . . . 0.0 111.599 176.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.548 ' HB3' HD12 ' A' ' 35' ' ' LEU . 65.2 mt -77.12 -31.35 55.69 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.785 -175.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.511 HG22 ' HE2' ' A' ' 74' ' ' LYS . 25.3 mt -68.44 -44.25 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 173.233 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.32 -38.37 86.61 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.89 178.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.31 -43.26 70.7 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.604 0.762 . . . . 0.0 111.889 178.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -67.0 -42.33 85.17 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 120.929 0.395 . . . . 0.0 110.309 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.511 ' HE2' HG22 ' A' ' 70' ' ' ILE . 57.7 mtmt -60.8 -52.03 66.79 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.634 173.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -56.17 -31.79 63.73 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.6 0.76 . . . . 0.0 111.166 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -75.44 -48.57 22.16 Favored 'General case' 0 C--O 1.254 1.293 0 C-N-CA 123.906 0.883 . . . . 0.0 112.316 -177.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.501 ' HB2' ' HB3' ' A' ' 87' ' ' GLN . 30.8 p -68.68 -37.43 79.58 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 121.118 0.485 . . . . 0.0 110.528 178.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -72.46 -25.02 61.29 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.541 1.137 . . . . 0.0 110.925 175.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -65.52 -39.02 91.33 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.19 0.596 . . . . 0.0 109.542 172.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.471 ' HA2' ' HA ' ' A' ' 86' ' ' ASN . . . 81.51 42.86 8.86 Favored Glycine 0 C--N 1.344 0.999 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.506 177.173 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.5 t -44.67 153.15 0.18 Allowed 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 125.971 1.709 . . . . 0.0 115.375 -170.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.64 -17.22 7.99 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 113.718 -1.583 . . . . 0.0 113.226 172.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.5 m -64.77 -39.21 93.24 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.013 0.525 . . . . 0.0 110.331 175.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.68 4.42 6.8 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.904 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.2 mt -89.64 76.71 7.27 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -176.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.471 ' HA ' ' HA2' ' A' ' 80' ' ' GLY . 11.3 m120 -102.82 117.34 34.42 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.51 1.124 . . . . 0.0 109.292 -179.073 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.501 ' HB3' ' HB2' ' A' ' 77' ' ' CYS . 6.1 tp-100 -148.03 134.18 19.36 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.314 1.045 . . . . 0.0 109.371 -174.147 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 1.243 0 CA-C-O 119.018 -0.879 . . . . 0.0 112.121 178.766 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 ttp . . . . . 0 N--CA 1.484 1.239 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -94.79 60.57 2.5 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.754 0.821 . . . . 0.0 109.867 -177.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -93.33 -26.98 17.05 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.119 -169.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.3 p -74.47 -28.99 61.27 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 121.058 0.456 . . . . 0.0 110.283 175.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -64.52 -29.56 70.59 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.415 1.086 . . . . 0.0 111.46 174.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -61.7 -9.18 5.72 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 123.997 0.919 . . . . 0.0 113.395 -177.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -117.0 -8.4 11.25 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.411 0.684 . . . . 0.0 111.84 -174.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 82' ' ' LYS . 34.5 mtmm -150.22 9.68 0.66 Allowed 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -170.174 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.92 148.26 52.07 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 118.604 0.638 . . . . 0.0 111.83 -174.542 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -81.32 154.49 26.49 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.734 0.413 . . . . 0.0 109.933 175.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 114.28 24.34 4.5 Favored Glycine 0 N--CA 1.469 0.873 0 CA-C-N 116.131 -0.486 . . . . 0.0 113.261 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.41 ' HG2' ' OD1' ' A' ' 42' ' ' ASN . 13.3 mptt -67.47 110.36 3.59 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.61 0.364 . . . . 0.0 110.142 172.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.2 150.36 42.15 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 176.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.15 45.94 37.75 Favored Glycine 0 C--N 1.335 0.496 0 CA-C-N 116.094 -0.503 . . . . 0.0 113.961 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 80.1 m -87.83 97.98 11.22 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 168.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 -102.21 172.81 6.68 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.626 0.77 . . . . 0.0 110.82 -173.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.4 m -84.74 160.84 20.2 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.1 0.56 . . . . 0.0 109.718 167.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.529 HD12 ' HG2' ' A' ' 74' ' ' LYS . 47.9 mm -60.77 -48.36 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 123.505 0.722 . . . . 0.0 110.398 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.564 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 49.0 mt-10 -70.9 -23.73 62.34 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.831 -178.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -67.67 -46.88 71.07 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 172.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.9 t -54.8 -63.04 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 123.449 0.7 . . . . 0.0 110.377 177.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.564 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 11.9 pt-20 -64.04 -44.24 93.13 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -171.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -79.8 -24.05 41.69 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -172.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -104.09 -3.33 24.65 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-O 118.726 -0.654 . . . . 0.0 111.768 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.459 HD22 ' HG2' ' A' ' 32' ' ' LYS . 6.8 mt -58.95 118.12 5.43 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 119.061 0.846 . . . . 0.0 111.533 178.277 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.57 -14.85 20.08 Favored Glycine 0 C--N 1.344 1.004 0 O-C-N 123.759 0.662 . . . . 0.0 112.823 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.8 p -91.13 -175.07 4.18 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.862 0.465 . . . . 0.0 111.053 -176.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -84.19 -21.85 31.14 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.796 0.438 . . . . 0.0 110.082 171.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -70.46 -37.58 74.33 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.861 0.865 . . . . 0.0 110.513 176.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.5 83.51 10.72 Favored Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 175.199 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -69.01 139.09 41.88 Favored 'Trans proline' 0 C--N 1.369 1.632 0 C-N-CA 122.233 1.956 . . . . 0.0 110.772 173.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.459 ' HG2' HD22 ' A' ' 25' ' ' LEU . 56.0 mtmt -56.28 -42.65 77.83 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.048 0.939 . . . . 0.0 111.596 -177.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -51.66 -46.8 63.89 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.799 0.84 . . . . 0.0 110.992 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -72.18 -30.94 65.46 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.75 0.82 . . . . 0.0 111.588 -171.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.6 -51.53 66.94 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 173.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.5 mt -59.73 -37.71 72.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.583 178.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 89.4 m -60.86 -53.56 55.8 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.199 1.0 . . . . 0.0 110.545 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -54.66 -46.67 74.06 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.57 0.748 . . . . 0.0 110.137 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.5 mp -58.84 -46.32 87.98 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.64 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.47 ' HA ' HD21 ' A' ' 48' ' ' LEU . 10.5 pt20 -78.43 -20.26 51.46 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 118.162 0.437 . . . . 0.0 112.161 -177.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -74.62 -40.35 61.59 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-O 120.733 0.302 . . . . 0.0 111.042 175.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.41 ' OD1' ' HG2' ' A' ' 12' ' ' LYS . 47.5 m-80 -92.37 -32.87 14.8 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -175.256 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.93 162.69 14.65 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -176.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.35 157.86 28.98 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 114.141 -1.39 . . . . 0.0 109.725 176.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.13 -34.05 59.35 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.496 0.718 . . . . 0.0 111.595 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.4 -40.73 78.88 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.217 1.007 . . . . 0.0 112.206 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -68.19 -41.41 81.45 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.684 0.794 . . . . 0.0 110.72 -176.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.481 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.7 mm? -72.91 -29.34 63.06 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.597 178.282 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -78.92 -17.88 54.76 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 122.221 -0.299 . . . . 0.0 111.204 174.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -77.79 -48.42 16.6 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.379 0.671 . . . . 0.0 110.661 173.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 92.8 m95 -95.35 4.99 52.84 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.473 0.709 . . . . 0.0 111.946 -177.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm 68.28 24.1 7.54 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 125.263 1.425 . . . . 0.0 112.191 172.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.481 ' HB2' HD12 ' A' ' 48' ' ' LEU . 19.6 mt -88.31 17.7 5.01 Favored 'General case' 0 CA--C 1.561 1.404 0 C-N-CA 124.783 1.233 . . . . 0.0 110.948 176.363 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -81.88 -7.81 59.63 Favored 'General case' 0 CA--C 1.561 1.372 0 C-N-CA 124.091 0.956 . . . . 0.0 112.8 -175.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -87.41 -160.56 35.51 Favored Glycine 0 N--CA 1.482 1.723 0 CA-C-O 120.059 -0.3 . . . . 0.0 112.567 177.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.8 t -82.42 135.76 35.08 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 172.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -58.91 -25.26 63.25 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.216 1.006 . . . . 0.0 113.074 -173.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -58.4 -54.33 48.23 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 123.569 0.543 . . . . 0.0 109.874 172.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.0 m -68.2 -29.63 68.52 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.543 178.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' A' ' 64' ' ' ARG . 60.8 mt -74.25 -44.41 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 117.878 0.308 . . . . 0.0 110.934 -176.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -69.32 -24.91 63.99 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.067 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -76.94 -47.49 20.82 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.98 0.912 . . . . 0.0 111.92 177.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -92.86 -40.62 10.52 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.47 0.708 . . . . 0.0 111.483 -169.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.418 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 4.4 mpt_? -85.38 156.07 21.03 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.089 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -96.84 169.81 9.6 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 123.64 0.776 . . . . 0.0 109.817 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.472 ' O ' HG13 ' A' ' 70' ' ' ILE . 27.8 p -58.85 -36.42 74.55 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 123.67 0.606 . . . . 0.0 110.863 177.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.5 m -51.72 -42.7 62.46 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 124.359 1.064 . . . . 0.0 112.969 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -60.9 -43.43 98.54 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.041 0.536 . . . . 0.0 110.875 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.5 mp -69.98 -42.01 73.67 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.504 -176.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.493 HG22 ' HE2' ' A' ' 74' ' ' LYS . 20.6 mt -64.7 -50.23 76.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.53 -40.38 91.29 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.512 1.125 . . . . 0.0 111.715 -177.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.25 -44.38 75.75 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.399 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -63.16 -43.21 98.93 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 122.997 0.519 . . . . 0.0 110.572 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.529 ' HG2' HD12 ' A' ' 18' ' ' ILE . 57.3 mtmt -60.92 -57.9 10.69 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.922 177.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.446 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 26.3 t70 -54.67 -35.23 63.32 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 124.278 0.986 . . . . 0.0 111.176 -177.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -69.93 -48.98 56.35 Favored 'General case' 0 C--O 1.254 1.299 0 C-N-CA 124.018 0.927 . . . . 0.0 111.94 -177.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 42.3 t -65.81 -33.66 76.36 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.835 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -81.28 -21.49 39.31 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.001 177.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 0.1 OUTLIER -69.89 -34.91 74.15 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.482 0.713 . . . . 0.0 109.479 176.076 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.85 43.88 4.04 Favored Glycine 0 C--N 1.351 1.387 0 C-N-CA 120.755 -0.735 . . . . 0.0 111.484 176.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.479 HG23 ' HB2' ' A' ' 85' ' ' LEU . 4.8 t -42.97 138.51 2.02 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.245 1.418 . . . . 0.0 114.293 -171.263 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -87.03 9.61 19.09 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.458 -171.48 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.4 p -83.24 30.96 0.45 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.447 0.699 . . . . 0.0 111.997 -177.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.28 17.77 79.74 Favored Glycine 0 C--N 1.351 1.374 0 CA-C-N 116.527 -0.306 . . . . 0.0 113.723 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.479 ' HB2' HG23 ' A' ' 81' ' ' THR . 85.3 mt -110.03 38.21 2.47 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.648 0.779 . . . . 0.0 110.531 -174.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -95.05 67.69 3.09 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 121.598 0.713 . . . . 0.0 109.868 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -76.13 103.35 6.13 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.214 178.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 119.049 -0.862 . . . . 0.0 111.514 -178.076 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.237 0.403 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.433 ' HA2' ' CE2' ' A' ' 16' ' ' TRP . . . 81.73 10.86 83.68 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 115.189 0.836 . . . . 0.0 115.189 170.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -85.1 73.5 10.64 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 175.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.433 ' CE2' ' HA2' ' A' ' 14' ' ' GLY . 4.3 m-90 -84.57 168.04 15.74 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 124.256 1.023 . . . . 0.0 110.79 -176.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.5 m -72.98 154.95 40.31 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.621 168.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.56 HD12 ' HG2' ' A' ' 74' ' ' LYS . 51.3 mm -62.1 -46.17 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 122.618 0.367 . . . . 0.0 110.411 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.561 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 48.5 mt-10 -69.49 -28.58 66.19 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.811 -179.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -62.92 -47.0 85.14 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 172.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.406 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 41.8 t -57.28 -64.53 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.256 177.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.561 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 11.1 pt-20 -64.23 -41.86 96.82 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -168.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -77.68 -37.14 50.33 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.383 0.427 . . . . 0.0 110.715 -174.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -96.13 -1.87 47.63 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 118.399 -0.81 . . . . 0.0 111.921 -176.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 21' ' ' VAL . 8.0 mt -58.12 111.79 1.31 Allowed 'General case' 0 N--CA 1.486 1.339 0 CA-C-N 118.828 0.74 . . . . 0.0 110.552 176.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.78 2.78 39.96 Favored Glycine 0 CA--C 1.533 1.185 0 CA-C-N 115.077 -0.965 . . . . 0.0 114.238 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.3 p -93.49 -178.28 4.67 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 117.95 0.875 . . . . 0.0 110.535 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -77.31 -20.71 54.56 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.933 0.493 . . . . 0.0 110.608 171.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -79.47 -46.0 18.3 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.065 0.946 . . . . 0.0 110.697 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -135.13 81.19 45.39 Favored Pre-proline 0 CA--C 1.546 0.82 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 175.822 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.29 146.9 87.18 Favored 'Trans proline' 0 C--N 1.364 1.343 0 C-N-CA 121.971 1.781 . . . . 0.0 111.319 172.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -56.65 -38.52 72.29 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.212 1.005 . . . . 0.0 111.571 -177.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -58.12 -41.42 83.57 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 123.887 0.742 . . . . 0.0 111.618 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.95 -29.76 65.86 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.572 0.749 . . . . 0.0 112.308 -176.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -66.49 -49.93 64.96 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 173.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.0 mt -57.24 -39.78 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.691 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.9 m -64.84 -50.94 64.67 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 123.973 0.909 . . . . 0.0 110.595 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -54.56 -46.72 73.74 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.326 0.65 . . . . 0.0 110.243 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mp -61.64 -46.2 90.79 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.558 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.426 ' HA ' HD21 ' A' ' 48' ' ' LEU . 1.6 pt20 -77.21 -17.71 58.29 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.791 -0.568 . . . . 0.0 112.394 -178.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -77.31 -55.25 5.56 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.711 0.291 . . . . 0.0 110.319 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -80.53 -46.45 15.78 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.245 0.618 . . . . 0.0 112.234 -170.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.35 162.46 27.86 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -173.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.43 158.07 35.68 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 114.7 -1.136 . . . . 0.0 109.841 173.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.36 -31.13 67.33 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.417 0.687 . . . . 0.0 112.008 -176.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.56 -41.55 81.26 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.126 0.97 . . . . 0.0 112.087 177.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -64.39 -45.44 87.65 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.785 0.834 . . . . 0.0 110.487 -175.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.525 HD12 ' HB2' ' A' ' 53' ' ' LEU . 2.2 mm? -71.23 -33.16 69.62 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.833 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -68.75 -26.31 65.17 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 122.429 -0.169 . . . . 0.0 111.002 173.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -75.87 -38.17 58.18 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.098 0.559 . . . . 0.0 111.162 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -100.1 6.41 44.93 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.747 ' HB2' ' HD2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER 63.9 24.44 13.69 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 124.668 1.187 . . . . 0.0 111.508 178.263 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.525 ' HB2' HD12 ' A' ' 48' ' ' LEU . 13.8 mt -92.44 11.53 25.87 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 123.89 0.876 . . . . 0.0 110.496 176.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.3 t -80.03 -8.99 59.66 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 124.215 1.006 . . . . 0.0 113.176 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -89.97 -143.06 9.99 Favored Glycine 0 N--CA 1.479 1.516 0 CA-C-N 117.757 0.253 . . . . 0.0 113.716 -176.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.1 t -93.87 130.75 39.8 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.7 0.8 . . . . 0.0 109.338 174.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.448 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.5 m-20 -53.55 -25.07 15.47 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 124.124 0.969 . . . . 0.0 113.504 -172.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -63.89 -57.36 10.04 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 123.388 0.43 . . . . 0.0 109.958 175.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.1 t -67.89 -26.65 66.11 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.549 0.34 . . . . 0.0 110.726 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 57' ' ' ASN . 87.0 mt -68.21 -48.47 73.54 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 C-N-CA 122.627 0.371 . . . . 0.0 110.462 178.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 16.2 ptm180 -73.1 -19.19 61.2 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 118.835 0.743 . . . . 0.0 111.569 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -82.4 -37.75 25.08 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.126 0.57 . . . . 0.0 112.35 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -101.6 -29.87 11.7 Favored 'General case' 0 N--CA 1.498 1.938 0 C-N-CA 123.034 0.534 . . . . 0.0 112.164 -173.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.747 ' HD2' ' HB2' ' A' ' 52' ' ' LYS . 3.9 mmp_? -100.42 109.9 22.07 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.736 0.815 . . . . 0.0 108.93 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -78.29 179.93 6.64 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.179 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.467 ' O ' HG13 ' A' ' 70' ' ' ILE . 17.0 p -54.8 -41.9 71.16 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.218 -177.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.3 m -47.59 -44.7 26.67 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.724 1.21 . . . . 0.0 112.672 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -64.28 -45.47 87.89 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.952 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.0 mp -71.02 -36.13 72.28 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 114.803 -1.09 . . . . 0.0 112.003 -176.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.58 HG22 ' HE2' ' A' ' 74' ' ' LYS . 41.9 mt -70.57 -53.28 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 -178.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.24 -41.29 92.86 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.865 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.13 -54.77 42.95 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.14 0.576 . . . . 0.0 112.201 173.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -62.52 -41.0 98.56 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.966 0.507 . . . . 0.0 110.964 -175.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.58 ' HE2' HG22 ' A' ' 70' ' ' ILE . 55.1 mtmt -61.75 -58.01 9.68 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.806 178.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -60.3 -25.07 65.46 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.509 0.723 . . . . 0.0 112.268 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -69.0 -55.42 10.91 Favored 'General case' 0 C--O 1.26 1.646 0 C-N-CA 123.643 0.777 . . . . 0.0 110.683 176.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 64.3 m -64.53 -38.0 89.51 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.933 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -73.75 -26.36 60.63 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.577 1.151 . . . . 0.0 111.41 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -65.35 -35.17 80.16 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 122.978 0.511 . . . . 0.0 109.96 172.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.114 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 178.069 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.1 ptm . . . . . 0 N--CA 1.468 0.448 0 CA-C-O 120.215 0.055 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.62 28.49 63.19 Favored Glycine 0 C--N 1.341 0.848 0 O-C-N 123.716 0.635 . . . . 0.0 114.518 172.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.4 p -83.72 91.4 7.49 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 171.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 -93.41 171.33 8.98 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.536 0.734 . . . . 0.0 109.965 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 m -84.61 159.15 20.68 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 165.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 74' ' ' LYS . 49.9 mm -58.75 -43.22 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 123.154 0.582 . . . . 0.0 110.947 -176.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.597 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 40.8 mt-10 -72.52 -30.84 64.83 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.459 -177.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -62.39 -45.26 93.93 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 172.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.45 -58.87 4.32 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.528 178.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.597 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.8 pt-20 -65.67 -41.42 92.5 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -171.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -73.94 -33.08 63.79 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.842 0.457 . . . . 0.0 111.349 -175.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -99.54 -6.91 26.65 Favored 'General case' 0 CA--C 1.553 1.083 0 CA-C-O 119.019 -0.515 . . . . 0.0 112.033 -176.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.408 HD22 ' HG2' ' A' ' 32' ' ' LYS . 4.2 mt -58.88 119.17 6.71 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 118.59 0.632 . . . . 0.0 112.233 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.01 8.34 54.1 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-N 115.51 -0.768 . . . . 0.0 113.436 176.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.3 p -104.84 -178.25 3.6 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.834 0.454 . . . . 0.0 110.005 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -85.76 -0.15 54.47 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 122.837 0.455 . . . . 0.0 111.115 174.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -85.65 -56.63 3.41 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 170.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -127.28 89.85 50.48 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -70.38 148.78 61.79 Favored 'Trans proline' 0 C--N 1.37 1.671 0 C-N-CA 121.707 1.605 . . . . 0.0 110.724 172.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.521 ' HD3' ' SG ' ' A' ' 66' ' ' CYS . 38.2 mtmm -54.63 -37.74 66.0 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.963 0.905 . . . . 0.0 111.045 176.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -56.78 -45.01 82.41 Favored 'General case' 0 CA--C 1.549 0.917 0 O-C-N 124.116 0.885 . . . . 0.0 111.059 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.92 -34.18 74.95 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.417 1.087 . . . . 0.0 111.819 -175.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.473 HD13 HD13 ' A' ' 39' ' ' LEU . 2.9 tm? -62.66 -54.6 37.02 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 175.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.484 HG23 ' HB3' ' A' ' 53' ' ' LEU . 56.9 mt -55.78 -41.4 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.893 178.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.7 m -57.76 -49.67 75.79 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.511 1.124 . . . . 0.0 110.914 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.481 ' HD2' HD12 ' A' ' 39' ' ' LEU . 76.2 t80 -58.33 -48.53 80.24 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 123.59 0.556 . . . . 0.0 110.394 -177.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.481 HD12 ' HD2' ' A' ' 38' ' ' TYR . 10.8 mp -65.86 -38.67 89.44 Favored 'General case' 0 C--O 1.212 -0.903 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.176 -176.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.45 ' NE2' HG22 ' A' ' 36' ' ' ILE . 1.6 pt20 -76.99 -19.56 57.15 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 118.691 0.678 . . . . 0.0 111.652 179.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -78.77 -43.32 25.8 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.826 0.45 . . . . 0.0 111.452 172.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -89.58 -42.95 11.11 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -172.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.426 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . . . -84.03 169.89 14.48 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.202 0.601 . . . . 0.0 111.974 -179.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -90.87 159.15 16.39 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.138 0.975 . . . . 0.0 110.185 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.89 -35.14 57.54 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.248 1.019 . . . . 0.0 112.953 -169.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.93 -40.16 79.77 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.02 0.928 . . . . 0.0 112.458 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -65.61 -40.44 92.63 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.729 0.812 . . . . 0.0 110.241 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.469 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.4 mm? -74.63 -28.85 61.05 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.673 178.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -75.02 -18.73 60.3 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.884 0.474 . . . . 0.0 110.703 173.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -80.61 -43.29 20.78 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.227 0.611 . . . . 0.0 111.153 173.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -100.27 6.53 44.67 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -176.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.544 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 10.5 mmpt? 67.53 24.54 8.64 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 124.464 1.106 . . . . 0.0 112.421 176.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.609 ' HA ' HD13 ' A' ' 60' ' ' ILE . 31.1 mt -90.74 7.85 37.55 Favored 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 123.895 0.878 . . . . 0.0 111.172 177.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.5 t -85.2 -5.67 59.32 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.492 0.717 . . . . 0.0 112.467 -174.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -91.75 -158.05 34.21 Favored Glycine 0 N--CA 1.474 1.176 0 N-CA-C 112.588 -0.205 . . . . 0.0 112.588 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.2 t -76.78 127.81 33.44 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 170.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.598 ' HA ' HD12 ' A' ' 60' ' ' ILE . 2.6 m-20 -56.64 -27.1 57.79 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.177 0.991 . . . . 0.0 112.36 -171.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.563 ' HA ' ' HE ' ' A' ' 61' ' ' ARG . 31.4 ttpt -58.04 -56.15 25.68 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.028 0.931 . . . . 0.0 111.011 174.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.7 m -72.76 -27.5 62.05 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.972 -174.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.609 HD13 ' HA ' ' A' ' 53' ' ' LEU . 51.7 mt -68.11 -48.37 74.49 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.993 0 C-N-CA 122.862 0.465 . . . . 0.0 110.008 176.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.563 ' HE ' ' HA ' ' A' ' 58' ' ' LYS . 12.7 ptt180 -76.12 -16.6 59.86 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 111.782 0.289 . . . . 0.0 111.782 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -86.99 -37.02 17.91 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 122.747 0.419 . . . . 0.0 111.583 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -93.7 -45.29 7.76 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.013 0.525 . . . . 0.0 111.281 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.8 mmp_? -87.47 147.78 25.24 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -89.37 171.36 9.8 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.276 0.63 . . . . 0.0 111.191 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.521 ' SG ' ' HD3' ' A' ' 32' ' ' LYS . 76.0 m -57.23 -33.46 67.57 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.688 173.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.2 m -51.96 -45.25 64.32 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.701 1.2 . . . . 0.0 112.482 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -62.24 -42.31 99.2 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 123.562 0.539 . . . . 0.0 110.843 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.5 mp -70.26 -34.42 72.8 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 124.579 1.174 . . . . 0.0 111.988 -176.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.466 ' O ' ' HB2' ' A' ' 74' ' ' LYS . 38.0 mt -67.33 -51.89 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 176.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.68 -33.34 74.88 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 124.382 1.051 . . . . 0.0 111.814 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.3 -54.7 21.65 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.476 0.711 . . . . 0.0 111.193 177.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -63.25 -34.92 78.71 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.147 0.579 . . . . 0.0 110.235 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 22.7 ttmt -65.08 -58.58 5.68 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.02 -0.991 . . . . 0.0 108.885 -176.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 17.8 t70 -57.88 -31.65 66.92 Favored 'General case' 0 C--O 1.209 -1.076 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.924 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 19.5 t80 -63.65 -52.29 61.4 Favored 'General case' 0 C--O 1.259 1.598 0 C-N-CA 124.2 1.0 . . . . 0.0 111.426 179.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 42.4 t -66.73 -37.08 83.95 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.843 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 30.5 mm-40 -75.23 -23.77 57.61 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.672 0.789 . . . . 0.0 110.944 177.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 0.5 OUTLIER -66.78 -38.36 86.41 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.923 0.889 . . . . 0.0 109.088 175.743 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.147 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.273 176.89 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.799 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.45 47.41 70.27 Favored Glycine 0 C--N 1.339 0.698 0 O-C-N 123.675 0.61 . . . . 0.0 113.809 170.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.1 m -86.85 83.25 7.58 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 170.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -83.65 170.22 14.51 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.604 0.762 . . . . 0.0 110.569 -173.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.9 m -85.71 159.76 19.71 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 170.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.534 HD12 ' HG2' ' A' ' 74' ' ' LYS . 37.6 mm -56.21 -42.64 73.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.5 0.72 . . . . 0.0 111.223 -177.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.554 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 35.8 mt-10 -71.41 -34.25 70.18 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.721 0.808 . . . . 0.0 112.034 -177.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -66.27 -42.42 88.49 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 175.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.3 t -57.18 -62.96 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.114 175.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.554 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 13.8 pt-20 -63.33 -41.94 98.94 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -170.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -78.74 -33.58 46.52 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 122.623 0.369 . . . . 0.0 111.597 -174.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -95.37 -7.28 38.98 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 118.846 -0.597 . . . . 0.0 112.206 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 mt -58.53 120.09 8.21 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 118.643 0.656 . . . . 0.0 110.965 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.02 -4.48 41.64 Favored Glycine 0 C--N 1.343 0.918 0 CA-C-N 115.629 -0.714 . . . . 0.0 113.46 177.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.6 p -91.44 -178.62 5.16 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 117.125 0.463 . . . . 0.0 110.461 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -76.44 -25.12 54.06 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.97 0.508 . . . . 0.0 110.739 171.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -75.55 -40.9 56.17 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.608 0.763 . . . . 0.0 110.918 -177.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -137.94 86.42 18.01 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 176.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.47 153.9 71.84 Favored 'Trans proline' 0 C--N 1.367 1.515 0 C-N-CA 122.347 2.032 . . . . 0.0 112.125 172.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.421 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 14.5 mttm -58.69 -38.67 78.76 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.719 172.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -54.06 -52.56 60.49 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.983 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.99 -30.3 71.49 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.256 1.022 . . . . 0.0 112.639 -174.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' ' 73' ' ' TYR . 2.0 tm? -66.47 -54.78 20.21 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 173.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.431 HG22 ' NE2' ' A' ' 40' ' ' GLN . 60.9 mt -55.69 -34.38 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.834 176.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.425 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 91.8 m -67.5 -51.5 50.38 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 124.347 1.059 . . . . 0.0 110.576 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.437 ' HD2' HD12 ' A' ' 39' ' ' LEU . 69.6 t80 -54.22 -44.56 71.79 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.15 0.58 . . . . 0.0 110.123 178.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.437 HD12 ' HD2' ' A' ' 38' ' ' TYR . 10.7 mp -64.33 -46.43 83.51 Favored 'General case' 0 C--O 1.202 -1.445 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.574 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.447 ' HA ' HD21 ' A' ' 48' ' ' LEU . 1.2 pt20 -73.57 -18.91 61.01 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 119.289 0.95 . . . . 0.0 112.213 -178.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 37' ' ' THR . 29.8 mtpp -76.54 -55.85 5.15 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.543 0.337 . . . . 0.0 110.138 174.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -82.8 -39.11 22.2 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.105 0.562 . . . . 0.0 112.427 -172.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 39' ' ' LEU . . . -81.18 152.15 27.87 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 121.13 0.49 . . . . 0.0 111.65 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -75.35 157.39 34.32 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.363 174.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.48 -32.3 49.58 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.78 0.832 . . . . 0.0 113.042 -171.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.37 -40.0 73.83 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.406 1.083 . . . . 0.0 112.566 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -68.24 -37.46 80.83 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.801 0.84 . . . . 0.0 110.698 -175.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.447 HD21 ' HA ' ' A' ' 40' ' ' GLN . 2.0 mm? -74.87 -35.52 62.33 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.988 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -67.36 -26.02 66.27 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.712 173.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -70.39 -60.85 2.03 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.042 0.537 . . . . 0.0 110.039 175.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -84.42 9.93 12.05 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -174.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.37 22.13 8.06 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 124.652 1.181 . . . . 0.0 111.081 175.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.546 ' HA ' HD13 ' A' ' 60' ' ' ILE . 21.5 mt -88.22 5.2 42.74 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 124.226 1.011 . . . . 0.0 111.03 176.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.1 t -75.64 -11.33 59.99 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.825 0.85 . . . . 0.0 112.631 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.74 -161.62 30.48 Favored Glycine 0 C--N 1.354 1.542 0 N-CA-C 112.666 -0.174 . . . . 0.0 112.666 177.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.3 t -81.58 128.87 34.38 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 172.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.581 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.6 m-20 -49.84 -28.56 6.63 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 125.193 1.397 . . . . 0.0 113.656 -173.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -68.2 -52.1 38.17 Favored 'General case' 0 C--O 1.247 0.946 0 C-N-CA 123.313 0.645 . . . . 0.0 110.831 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.8 t -61.29 -42.53 98.8 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.411 176.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 57' ' ' ASN . 56.3 mt -60.55 -49.91 82.51 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.891 0 C-N-CA 123.296 0.638 . . . . 0.0 110.971 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.421 ' HB2' ' HB2' ' A' ' 32' ' ' LYS . 24.5 ptt180 -69.54 -23.75 63.62 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.717 0.407 . . . . 0.0 111.403 -176.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.555 ' HA ' ' HE2' ' A' ' 62' ' ' LYS . 10.2 mmpt? -79.02 -32.18 44.95 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 172.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -92.69 -21.64 19.88 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.481 0.712 . . . . 0.0 111.868 -175.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 78.1 mmt-85 -125.71 113.17 16.97 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 124.589 1.156 . . . . 0.0 108.447 -175.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -78.45 -175.53 4.32 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.295 0.638 . . . . 0.0 110.798 176.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.426 ' O ' HG13 ' A' ' 70' ' ' ILE . 12.6 p -48.66 -47.86 40.25 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.027 0.931 . . . . 0.0 112.682 -177.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.4 m -48.12 -44.72 32.19 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.496 1.118 . . . . 0.0 113.463 -174.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.462 HE21 ' HA ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -68.76 -38.42 80.07 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.815 0.446 . . . . 0.0 111.584 -178.786 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.5 mp -76.52 -30.44 57.18 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.816 0.847 . . . . 0.0 111.797 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.518 HG22 ' HE2' ' A' ' 74' ' ' LYS . 58.1 mt -68.48 -48.45 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 175.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.58 -46.49 86.82 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 114.575 -1.193 . . . . 0.0 110.974 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.32 -46.17 87.89 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.71 0.804 . . . . 0.0 112.48 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.431 ' HB2' HD11 ' A' ' 35' ' ' LEU . 64.4 t80 -68.17 -43.62 77.77 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.729 0.412 . . . . 0.0 110.75 -177.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.534 ' HG2' HD12 ' A' ' 18' ' ' ILE . 55.1 mtmt -57.01 -56.69 18.48 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 123.726 0.641 . . . . 0.0 109.619 174.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -54.23 -35.71 62.75 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 124.527 1.142 . . . . 0.0 111.498 -176.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -69.73 -51.69 32.0 Favored 'General case' 0 C--O 1.255 1.379 0 C-N-CA 123.848 0.859 . . . . 0.0 111.764 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.37 -28.32 67.02 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.288 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -82.82 -28.74 29.99 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.162 0.985 . . . . 0.0 110.184 177.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -64.56 -33.58 76.24 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.163 0.585 . . . . 0.0 109.496 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.156 0 C-N-CA 121.073 -0.584 . . . . 0.0 111.937 172.441 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.1 ptm . . . . . 0 N--CA 1.466 0.352 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 68.65 26.42 74.46 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 115.702 1.041 . . . . 0.0 115.702 168.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -85.01 76.13 10.3 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 174.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.5 m-90 -90.44 164.49 14.27 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.763 -175.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.0 m -79.45 157.36 27.53 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.462 165.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.517 HD12 ' HG2' ' A' ' 74' ' ' LYS . 51.2 mm -60.17 -42.49 90.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 122.76 0.424 . . . . 0.0 111.045 -178.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.57 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 49.3 mt-10 -67.47 -32.83 73.95 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.668 179.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -64.09 -44.59 91.87 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 176.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.7 t -57.75 -63.02 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.265 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.57 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.8 pt-20 -62.58 -41.83 99.19 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.323 0.649 . . . . 0.0 112.629 -170.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -78.48 -38.3 41.32 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 122.656 0.382 . . . . 0.0 111.32 -173.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -90.3 -8.36 51.07 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 118.886 -0.578 . . . . 0.0 111.381 -177.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 66' ' ' CYS . 5.9 mt -60.65 116.85 4.68 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 118.801 0.728 . . . . 0.0 111.408 178.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.31 -15.44 30.2 Favored Glycine 0 C--N 1.348 1.215 0 CA-C-N 115.364 -0.835 . . . . 0.0 112.663 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.0 p -88.91 176.7 6.92 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.843 0.457 . . . . 0.0 110.886 -177.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.72 -36.01 81.48 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.083 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -67.5 -43.82 79.97 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.39 0.676 . . . . 0.0 111.23 -177.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -133.18 87.13 39.88 Favored Pre-proline 0 N--CA 1.478 0.948 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -70.51 157.46 58.86 Favored 'Trans proline' 0 C--N 1.367 1.546 0 C-N-CA 121.674 1.582 . . . . 0.0 110.708 172.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -52.51 -47.36 66.69 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.132 0.573 . . . . 0.0 110.429 177.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -55.49 -38.37 69.05 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.586 -174.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -66.17 -39.72 89.95 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.866 0.866 . . . . 0.0 111.452 -178.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.41 -51.77 64.4 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.473 HG22 ' NE2' ' A' ' 40' ' ' GLN . 62.6 mt -55.99 -38.19 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-N 114.408 -1.269 . . . . 0.0 110.288 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 52.6 m -63.5 -52.88 59.37 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 124.482 1.113 . . . . 0.0 110.617 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.428 ' HD1' HD12 ' A' ' 39' ' ' LEU . 62.5 t80 -54.45 -46.28 73.26 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.746 0.418 . . . . 0.0 110.385 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.428 HD12 ' HD1' ' A' ' 38' ' ' TYR . 8.4 mp -64.13 -44.03 93.43 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.921 -177.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.473 ' NE2' HG22 ' A' ' 36' ' ' ILE . 1.9 pt20 -77.41 -17.81 57.82 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -81.45 -48.39 11.95 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.45 0.3 . . . . 0.0 110.945 174.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -93.78 -23.59 18.12 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -168.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.403 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . . . -95.03 161.87 13.96 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 120.955 0.407 . . . . 0.0 110.943 175.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -75.91 158.01 32.55 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.616 170.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.17 -31.72 65.69 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.604 0.762 . . . . 0.0 112.204 -171.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.49 -38.66 72.06 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.373 1.069 . . . . 0.0 112.689 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -64.79 -41.71 95.61 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.173 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.494 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.8 mm? -73.69 -29.18 62.13 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.461 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -72.55 -22.73 60.96 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.203 0.601 . . . . 0.0 110.734 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -78.95 -51.3 9.82 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.171 0.588 . . . . 0.0 110.762 174.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -89.13 5.77 43.06 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.11 0.564 . . . . 0.0 112.309 -176.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.455 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 9.9 mmpt? 67.78 22.46 8.85 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.749 1.219 . . . . 0.0 112.057 173.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.494 ' HB2' HD12 ' A' ' 48' ' ' LEU . 18.6 mt -89.5 4.61 48.63 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 124.023 0.929 . . . . 0.0 110.48 176.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.6 t -73.17 -21.23 60.73 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.235 1.014 . . . . 0.0 112.7 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -74.11 -165.43 12.07 Favored Glycine 0 C--N 1.352 1.436 0 O-C-N 123.622 0.576 . . . . 0.0 113.195 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.8 t -77.18 130.2 36.97 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 175.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.533 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.2 m-20 -55.01 -25.76 32.38 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.045 0.938 . . . . 0.0 113.322 -173.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -58.72 -52.81 64.13 Favored 'General case' 0 C--O 1.255 1.36 0 C-N-CA 123.644 0.777 . . . . 0.0 110.537 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.4 m -64.55 -34.85 79.2 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.883 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 57' ' ' ASN . 28.6 mt -73.96 -42.16 52.96 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 123.09 0.556 . . . . 0.0 110.674 -176.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -74.97 -18.07 60.44 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.621 0.368 . . . . 0.0 111.133 -178.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -86.58 -51.73 5.98 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.968 -0.457 . . . . 0.0 111.377 172.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.443 HD22 ' N ' ' A' ' 63' ' ' ASN . 0.8 OUTLIER -77.31 -48.81 16.44 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.079 0.552 . . . . 0.0 111.007 -170.731 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -84.51 144.15 28.89 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -125.17 -146.13 0.34 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.75 0.82 . . . . 0.0 108.925 -177.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.427 ' HA ' HD13 ' A' ' 25' ' ' LEU . 79.8 m -58.28 -59.4 5.38 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 118.335 0.516 . . . . 0.0 111.748 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.1 m -50.29 -48.7 54.89 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -165.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.424 ' HA ' HE21 ' A' ' 68' ' ' GLN . 0.0 OUTLIER -62.82 -43.49 98.67 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.041 0.536 . . . . 0.0 111.28 -179.558 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 mp -73.15 -33.28 65.4 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.989 -176.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.522 HG22 ' HE2' ' A' ' 74' ' ' LYS . 54.5 mt -67.42 -51.35 53.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 177.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.59 -39.76 81.27 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.418 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.3 -45.94 68.38 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.552 0.741 . . . . 0.0 112.627 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -66.41 -42.32 87.96 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 122.584 0.354 . . . . 0.0 110.354 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.522 ' HE2' HG22 ' A' ' 70' ' ' ILE . 56.2 mtmt -58.55 -54.37 47.83 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.318 175.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 31.6 t70 -53.89 -37.7 64.0 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.13 0.972 . . . . 0.0 111.509 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.403 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 8.5 t80 -66.75 -53.84 29.04 Favored 'General case' 0 C--O 1.255 1.388 0 C-N-CA 124.956 1.302 . . . . 0.0 111.825 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 63.8 m -66.66 -36.59 82.91 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.516 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -76.53 -25.98 54.71 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.951 0.9 . . . . 0.0 110.732 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 19.2 t-80 -69.95 -24.7 63.39 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 123.373 0.669 . . . . 0.0 109.926 173.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.113 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.009 169.683 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.441 ' SD ' ' HD3' ' A' ' 41' ' ' LYS . 8.3 ptm . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.79 46.15 90.31 Favored Glycine 0 C--N 1.343 0.95 0 N-CA-C 116.126 1.21 . . . . 0.0 116.126 165.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.5 p -82.26 83.44 7.41 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 172.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 -91.72 165.37 13.33 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.17 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.5 m -82.51 160.95 22.52 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 166.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.432 HG23 ' HG2' ' A' ' 74' ' ' LYS . 45.7 mm -59.1 -46.55 91.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 122.854 0.461 . . . . 0.0 110.781 -178.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.614 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 49.0 mt-10 -70.99 -25.6 62.77 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.741 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -66.21 -49.37 67.51 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 172.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.3 t -55.36 -57.33 7.75 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.58 0 C-N-CA 123.49 0.716 . . . . 0.0 110.704 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.614 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 13.5 pt-20 -65.51 -44.9 85.57 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -172.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -77.59 -25.04 49.59 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.609 0.363 . . . . 0.0 111.786 -173.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -103.45 -6.23 22.06 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 118.897 -0.573 . . . . 0.0 111.94 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.482 HD22 ' HG2' ' A' ' 32' ' ' LYS . 5.8 mt -61.97 114.07 3.17 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 118.784 0.72 . . . . 0.0 110.247 175.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.17 -6.06 32.16 Favored Glycine 0 CA--C 1.527 0.836 0 CA-C-N 115.701 -0.681 . . . . 0.0 113.334 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.4 p -92.65 168.09 11.46 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 117.216 0.508 . . . . 0.0 110.259 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.27 -28.29 69.62 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.422 0.689 . . . . 0.0 110.9 175.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -71.95 -43.91 64.46 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.439 1.096 . . . . 0.0 110.387 -177.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -134.68 88.97 27.02 Favored Pre-proline 0 CA--C 1.547 0.853 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.29 150.84 59.61 Favored 'Trans proline' 0 C--N 1.369 1.625 0 C-N-CA 122.088 1.859 . . . . 0.0 111.644 174.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.482 ' HG2' HD22 ' A' ' 25' ' ' LEU . 55.9 mtmt -56.33 -36.62 68.93 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.711 0.804 . . . . 0.0 110.72 175.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -48.47 -55.59 10.53 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.173 0.989 . . . . 0.0 111.701 173.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -65.28 -36.26 83.54 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.309 1.044 . . . . 0.0 111.991 -172.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.474 HD12 ' HB3' ' A' ' 69' ' ' LEU . 3.4 tm? -61.56 -57.3 12.62 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.421 0.629 . . . . 0.0 109.46 175.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.455 HG22 ' NE2' ' A' ' 40' ' ' GLN . 57.3 mt -58.76 -36.74 62.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.571 -178.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 53.9 m -59.8 -48.44 81.67 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.318 1.047 . . . . 0.0 110.679 176.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.499 ' HD1' HD12 ' A' ' 39' ' ' LEU . 48.5 t80 -53.89 -52.27 61.04 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.325 0.65 . . . . 0.0 110.03 177.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.499 HD12 ' HD1' ' A' ' 38' ' ' TYR . 10.2 mp -62.86 -40.15 96.61 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.132 -175.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.455 ' NE2' HG22 ' A' ' 36' ' ' ILE . 1.6 pt20 -79.02 -17.62 55.0 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 121.82 -0.55 . . . . 0.0 112.034 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HD3' ' SD ' ' A' ' 13' ' ' MET . 59.6 mtpt -77.68 -49.62 14.12 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.344 0.257 . . . . 0.0 110.749 172.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -85.59 -46.3 10.94 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -172.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.41 162.74 27.61 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.145 0.498 . . . . 0.0 112.254 -178.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -82.31 161.48 22.6 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.068 173.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.58 -35.49 20.9 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.646 1.178 . . . . 0.0 112.745 -175.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.61 81.28 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.086 0.954 . . . . 0.0 112.75 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -71.61 -34.26 69.69 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.087 0.555 . . . . 0.0 110.619 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.497 HD12 ' HB2' ' A' ' 53' ' ' LEU . 2.3 mm? -73.93 -34.96 64.54 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.325 176.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -65.98 -32.29 73.68 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 120.798 0.332 . . . . 0.0 110.236 172.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -65.46 -53.47 42.32 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.268 1.027 . . . . 0.0 110.524 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -95.46 14.04 23.96 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -174.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.426 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 11.5 mmpt? 68.74 20.66 8.07 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 124.752 1.221 . . . . 0.0 111.786 174.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.497 ' HB2' HD12 ' A' ' 48' ' ' LEU . 13.6 mt -92.93 11.42 27.35 Favored 'General case' 0 CA--C 1.564 1.496 0 C-N-CA 124.439 1.095 . . . . 0.0 111.241 178.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.6 t -75.31 -22.55 57.61 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -81.14 -162.11 27.97 Favored Glycine 0 N--CA 1.475 1.292 0 CA-C-O 120.385 -0.119 . . . . 0.0 113.15 -177.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.3 t -71.59 126.79 30.61 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 176.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.571 ' HA ' HD12 ' A' ' 60' ' ' ILE . 45.1 t-20 -53.94 -30.19 45.54 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.453 1.101 . . . . 0.0 111.683 -172.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -58.19 -53.9 53.07 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.172 0.989 . . . . 0.0 111.775 174.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.4 t -69.97 -27.19 64.52 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.943 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 57' ' ' ASN . 57.9 mt -71.95 -49.37 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 122.403 0.281 . . . . 0.0 110.533 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -64.92 -32.05 73.58 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.318 0.247 . . . . 0.0 110.992 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -81.14 -38.01 27.88 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.45 HD22 ' N ' ' A' ' 63' ' ' ASN . 0.8 OUTLIER -94.55 -42.47 8.8 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 122.241 -0.287 . . . . 0.0 111.698 -172.28 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.417 ' HA ' ' NE ' ' A' ' 64' ' ' ARG . 14.8 mmp_? -75.79 137.87 40.81 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 121.104 0.478 . . . . 0.0 110.734 -177.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.459 HD22 ' N ' ' A' ' 65' ' ' ASN . 0.7 OUTLIER -75.55 154.74 36.62 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 114.583 -1.189 . . . . 0.0 109.576 179.384 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.417 ' O ' HG13 ' A' ' 70' ' ' ILE . 26.0 p -58.65 -36.29 73.88 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.373 0.669 . . . . 0.0 111.211 -178.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.8 m -59.36 -36.69 76.2 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.576 0.75 . . . . 0.0 112.249 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -61.73 -42.51 99.05 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 122.893 0.477 . . . . 0.0 110.525 173.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.474 ' HB3' HD12 ' A' ' 35' ' ' LEU . 54.2 mt -75.33 -35.49 61.2 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.359 1.064 . . . . 0.0 111.306 -173.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.469 ' O ' ' HG3' ' A' ' 74' ' ' LYS . 63.7 mt -66.05 -58.43 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 176.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.83 -33.09 66.42 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 124.424 1.078 . . . . 0.0 111.756 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.18 -53.48 56.4 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.536 0.734 . . . . 0.0 111.933 173.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -64.33 -39.15 93.33 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 122.796 0.439 . . . . 0.0 110.933 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 70' ' ' ILE . 56.0 mtpt -59.4 -55.34 35.97 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.526 0.73 . . . . 0.0 110.072 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.17 -35.4 75.28 Favored 'General case' 0 C--O 1.204 -1.326 0 CA-C-N 114.673 -1.149 . . . . 0.0 110.257 -176.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.2 -58.74 6.63 Favored 'General case' 0 C--O 1.256 1.444 0 C-N-CA 123.96 0.904 . . . . 0.0 110.795 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 74.7 m -59.59 -35.86 75.14 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.094 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -79.38 -37.03 38.29 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.59 0.756 . . . . 0.0 111.767 -178.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -78.95 -9.53 59.54 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 123.495 0.718 . . . . 0.0 111.063 -176.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.446 0 C-N-CA 120.085 -1.055 . . . . 0.0 112.91 175.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.774 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.44 26.58 67.53 Favored Glycine 0 C--N 1.338 0.668 0 N-CA-C 114.118 0.407 . . . . 0.0 114.118 172.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.7 p -80.31 91.27 5.62 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 174.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -99.49 178.98 4.71 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.303 0.641 . . . . 0.0 110.672 -177.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.3 m -98.85 168.95 9.8 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.591 0.756 . . . . 0.0 109.231 168.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.577 HD12 ' HG2' ' A' ' 74' ' ' LYS . 49.3 mm -57.57 -44.22 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 123.653 0.781 . . . . 0.0 110.234 178.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.605 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 44.5 mt-10 -71.73 -33.89 69.1 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.384 -175.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -63.89 -45.48 89.17 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 175.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.8 t -56.14 -60.36 1.91 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.482 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.115 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.605 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 10.7 pt-20 -64.08 -42.79 96.84 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -171.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -76.25 -37.0 58.21 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.958 0.503 . . . . 0.0 111.769 -173.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -92.09 -10.44 38.99 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-O 119.165 -0.445 . . . . 0.0 111.472 -177.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.408 HD13 ' HB2' ' A' ' 66' ' ' CYS . 5.4 mt -59.17 113.44 2.13 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 118.259 0.481 . . . . 0.0 111.555 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.23 -27.54 6.65 Favored Glycine 0 C--N 1.343 0.931 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.917 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.1 p -79.28 176.84 9.31 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.062 0.545 . . . . 0.0 110.22 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -77.07 -22.28 53.09 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 172.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -59.2 -50.6 73.4 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.079 0.551 . . . . 0.0 110.085 174.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -138.86 82.97 19.49 Favored Pre-proline 0 N--CA 1.473 0.688 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.389 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.454 ' HG2' ' HB2' ' A' ' 34' ' ' ASP . 36.5 Cg_endo -67.92 155.12 70.95 Favored 'Trans proline' 0 C--N 1.369 1.609 0 C-N-CA 121.953 1.768 . . . . 0.0 111.117 173.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -54.57 -46.01 73.61 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.406 0.682 . . . . 0.0 110.8 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -53.47 -40.57 65.4 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.668 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.454 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 38.8 t70 -72.47 -33.86 67.31 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.321 0.648 . . . . 0.0 111.69 -173.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.57 -47.98 73.95 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 174.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.42 HG22 ' NE2' ' A' ' 40' ' ' GLN . 58.3 mt -57.68 -40.36 74.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.388 176.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 63.7 m -63.05 -49.96 72.5 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.279 1.032 . . . . 0.0 110.879 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -58.08 -44.22 87.43 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.975 0.51 . . . . 0.0 110.601 178.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.42 -41.8 98.7 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.012 0.525 . . . . 0.0 111.657 -178.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.436 ' HA ' HD21 ' A' ' 48' ' ' LEU . 1.3 pt20 -77.81 -18.13 56.7 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 122.139 -0.351 . . . . 0.0 111.818 179.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -78.69 -48.78 14.3 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 122.41 0.284 . . . . 0.0 111.123 172.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -88.39 -46.72 8.93 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.146 0.578 . . . . 0.0 112.408 -170.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.15 163.37 25.9 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 122.635 0.374 . . . . 0.0 111.49 -177.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -76.97 159.39 29.98 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.229 172.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.0 -32.79 64.27 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.691 0.796 . . . . 0.0 112.034 -175.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.51 -41.56 66.46 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.413 1.085 . . . . 0.0 112.156 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -66.22 -42.1 89.15 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.222 -177.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.495 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.8 mm? -73.14 -28.77 62.43 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.463 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -77.53 -21.26 52.91 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.017 0.527 . . . . 0.0 111.02 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -77.3 -50.13 13.5 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.617 0.767 . . . . 0.0 109.965 174.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -91.39 8.3 36.89 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.556 0.743 . . . . 0.0 111.649 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm 59.59 23.71 12.45 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 124.766 1.226 . . . . 0.0 112.323 174.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.495 ' HB2' HD12 ' A' ' 48' ' ' LEU . 22.9 mt -82.6 1.47 38.02 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 124.288 1.035 . . . . 0.0 109.887 174.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.5 t -69.76 -13.85 62.49 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.009 1.323 . . . . 0.0 112.359 175.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.97 -168.66 37.74 Favored Glycine 0 C--N 1.352 1.421 0 O-C-N 122.934 0.146 . . . . 0.0 113.027 178.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.7 t -77.25 131.2 38.07 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 173.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.549 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.5 m-20 -56.32 -25.54 49.16 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.595 0.758 . . . . 0.0 112.847 -174.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.1 ttmp? -59.44 -55.03 39.76 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 123.678 0.611 . . . . 0.0 110.418 175.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.5 m -66.6 -35.36 80.0 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.083 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' A' ' 57' ' ' ASN . 60.2 mt -65.14 -53.59 39.11 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 O-C-N 123.583 0.552 . . . . 0.0 111.293 -178.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -69.24 -27.36 65.38 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 117.655 0.207 . . . . 0.0 111.062 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -73.05 -46.65 50.54 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.144 0.577 . . . . 0.0 110.856 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.52 -45.95 9.5 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.658 0.783 . . . . 0.0 111.208 -172.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.497 ' HD3' HG23 ' A' ' 60' ' ' ILE . 74.1 mtp85 -90.37 151.33 21.49 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.614 0.766 . . . . 0.0 110.151 -179.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -103.87 169.86 8.26 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.103 -176.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.485 ' O ' HG13 ' A' ' 70' ' ' ILE . 28.2 p -59.81 -29.45 68.25 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.528 0.731 . . . . 0.0 111.182 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.0 m -50.82 -45.33 59.41 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.453 1.101 . . . . 0.0 112.252 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -66.09 -37.76 86.58 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.964 0.906 . . . . 0.0 111.541 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.5 mp -72.04 -33.85 68.33 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.37 1.068 . . . . 0.0 111.777 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 66' ' ' CYS . 32.3 mt -68.88 -48.11 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 175.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.62 -37.47 75.94 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.342 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.3 -44.6 67.99 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.656 0.782 . . . . 0.0 112.036 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -67.51 -38.48 84.35 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -178.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.577 ' HG2' HD12 ' A' ' 18' ' ' ILE . 55.9 mtmt -61.4 -51.71 67.6 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.376 173.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -59.92 -31.95 70.31 Favored 'General case' 0 C--O 1.201 -1.462 0 O-C-N 123.642 0.589 . . . . 0.0 111.132 -177.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -67.58 -53.66 26.33 Favored 'General case' 0 C--O 1.253 1.267 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 175.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 42.7 t -60.14 -32.07 70.67 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 114.679 -1.146 . . . . 0.0 112.077 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 27.4 mm-40 -89.51 -36.99 15.07 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.69 0.796 . . . . 0.0 111.256 -176.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -81.06 2.88 25.25 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 123.6 0.76 . . . . 0.0 110.95 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.513 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.842 166.539 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.6 ptm . . . . . 0 N--CA 1.469 0.523 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 54.99 47.78 70.94 Favored Glycine 0 C--N 1.348 1.21 0 O-C-N 123.564 0.54 . . . . 0.0 114.439 169.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.2 m -88.45 95.02 10.05 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 175.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.413 ' CE2' HD21 ' A' ' 30' ' ' LEU . 3.5 m-90 -97.97 179.37 4.81 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-O 121.505 0.669 . . . . 0.0 111.325 -173.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.7 m -92.54 163.62 13.75 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.006 166.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.571 HD12 ' HG2' ' A' ' 74' ' ' LYS . 50.5 mm -60.02 -46.14 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.383 0.673 . . . . 0.0 110.997 -177.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.525 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 1.2 tt0 -69.44 -35.02 75.28 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.338 -175.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -59.15 -45.5 90.8 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.3 t -55.57 -63.37 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.469 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.525 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 11.3 pt-20 -62.63 -44.34 96.53 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -171.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -73.17 -35.39 66.41 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.985 0.514 . . . . 0.0 111.248 -173.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -97.8 -6.56 32.43 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-O 119.173 -0.441 . . . . 0.0 111.986 -176.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.437 HD22 ' HG2' ' A' ' 32' ' ' LYS . 6.8 mt -60.92 121.48 12.48 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-N 118.508 0.595 . . . . 0.0 111.855 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.81 -0.87 55.26 Favored Glycine 0 C--N 1.344 0.987 0 CA-C-N 115.572 -0.74 . . . . 0.0 113.207 178.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.5 p -98.09 -177.86 3.87 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 117.5 0.65 . . . . 0.0 110.411 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -71.99 -22.16 61.46 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.262 0.625 . . . . 0.0 110.32 171.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -76.19 -50.62 14.03 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.789 0.836 . . . . 0.0 110.195 -175.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.413 HD21 ' CE2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -130.82 87.27 49.77 Favored Pre-proline 0 N--CA 1.476 0.838 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 176.17 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -68.33 145.86 67.1 Favored 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 121.954 1.769 . . . . 0.0 110.909 173.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.586 ' HD3' ' SG ' ' A' ' 66' ' ' CYS . 49.7 mtmt -56.35 -38.18 71.02 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.596 0.759 . . . . 0.0 111.859 -177.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.408 ' HB2' ' HD3' ' A' ' 61' ' ' ARG . 2.2 t30 -55.8 -44.83 78.2 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 124.069 0.856 . . . . 0.0 110.803 -178.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -70.32 -30.18 67.09 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.739 0.815 . . . . 0.0 111.71 -173.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.11 -50.83 60.13 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 175.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.441 HD13 HG22 ' A' ' 60' ' ' ILE . 46.9 mt -61.12 -38.03 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.631 178.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 56.7 m -56.84 -51.35 69.34 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.656 1.183 . . . . 0.0 109.726 177.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -53.9 -49.19 69.15 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.999 0.812 . . . . 0.0 110.379 176.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.23 -43.01 99.79 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.832 -175.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.41 ' HA ' HD21 ' A' ' 48' ' ' LEU . 1.6 pt20 -80.55 -19.28 46.04 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.705 -0.622 . . . . 0.0 112.211 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -82.33 -40.13 21.86 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.513 0.325 . . . . 0.0 111.505 174.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -94.38 -23.7 17.67 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.446 0.698 . . . . 0.0 112.324 -171.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -107.9 174.08 6.04 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -175.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.434 ' O ' HD22 ' A' ' 48' ' ' LEU . 5.6 m-20 -90.88 162.56 14.74 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.787 1.235 . . . . 0.0 110.753 -177.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.24 -35.89 67.9 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.342 0.657 . . . . 0.0 111.827 -177.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.33 -41.06 75.44 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.017 0.927 . . . . 0.0 111.657 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -65.29 -45.4 84.57 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.519 -177.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.434 HD22 ' O ' ' A' ' 44' ' ' ASP . 1.5 mm? -69.91 -42.76 72.91 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.838 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.64 -24.51 67.05 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.063 0.545 . . . . 0.0 111.21 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -74.14 -53.87 8.97 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.631 0.773 . . . . 0.0 110.327 173.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -86.3 10.21 15.51 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.428 0.691 . . . . 0.0 112.59 -174.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt 66.48 22.78 10.6 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.779 1.231 . . . . 0.0 111.091 173.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.416 ' HB2' HD12 ' A' ' 48' ' ' LEU . 28.1 mt -95.47 15.65 19.1 Favored 'General case' 0 CA--C 1.56 1.336 0 C-N-CA 125.053 1.341 . . . . 0.0 111.93 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.3 t -81.94 -9.46 59.57 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 -174.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -87.36 -147.75 12.73 Favored Glycine 0 N--CA 1.48 1.622 0 CA-C-N 117.603 0.183 . . . . 0.0 113.158 -178.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.3 t -90.1 128.7 36.38 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 176.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -56.32 -27.1 54.6 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 124.25 1.02 . . . . 0.0 112.284 -169.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -62.88 -53.87 47.52 Favored 'General case' 0 C--O 1.249 1.046 0 C-N-CA 123.577 0.751 . . . . 0.0 110.916 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 m -68.46 -33.44 74.18 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.533 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.441 HG22 HD13 ' A' ' 36' ' ' ILE . 85.4 mt -65.55 -44.33 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 122.881 0.472 . . . . 0.0 111.076 -178.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.408 ' HD3' ' HB2' ' A' ' 33' ' ' ASN . 20.9 ptt85 -69.2 -32.49 71.8 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 121.848 -0.533 . . . . 0.0 109.889 176.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -72.58 -30.32 64.29 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 123.238 0.615 . . . . 0.0 112.477 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -103.83 -48.13 4.01 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.872 0.469 . . . . 0.0 111.466 -174.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.465 ' NH2' ' HG3' ' A' ' 68' ' ' GLN . 18.3 mmm180 -76.38 140.12 41.24 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -175.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -85.21 156.92 20.78 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.645 -175.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.586 ' SG ' ' HD3' ' A' ' 32' ' ' LYS . 87.4 m -56.74 -39.56 74.17 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.398 0.679 . . . . 0.0 110.661 177.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.486 ' HA ' HD12 ' A' ' 70' ' ' ILE . 16.3 m -54.91 -38.02 67.1 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.424 1.09 . . . . 0.0 111.944 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.465 ' HG3' ' NH2' ' A' ' 64' ' ' ARG . 1.2 tm0? -65.55 -46.56 79.05 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.773 0.829 . . . . 0.0 110.3 176.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.8 mp -64.41 -35.84 82.21 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.788 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 67' ' ' SER . 32.7 mt -67.02 -50.16 66.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 176.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.88 -33.24 70.27 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.114 0.966 . . . . 0.0 111.786 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.65 -46.59 37.1 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.519 0.728 . . . . 0.0 110.915 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -65.72 -38.23 88.6 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.724 0.41 . . . . 0.0 110.251 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.571 ' HG2' HD12 ' A' ' 18' ' ' ILE . 58.9 mtmt -62.56 -56.48 17.56 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.26 0.624 . . . . 0.0 109.558 175.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -50.25 -40.86 49.16 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.981 0.913 . . . . 0.0 111.315 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -67.35 -46.87 72.1 Favored 'General case' 0 C--O 1.25 1.105 0 C-N-CA 124.346 1.059 . . . . 0.0 111.485 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 43.5 t -62.76 -36.09 81.92 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.417 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 11.9 mm-40 -84.07 -24.87 30.21 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.9 0.88 . . . . 0.0 110.46 -177.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -68.22 -23.21 64.79 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.485 0.714 . . . . 0.0 110.151 168.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 1.24 0 N-CA-C 112.017 -0.433 . . . . 0.0 112.017 169.582 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.683 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.96 13.0 83.85 Favored Glycine 0 C--N 1.339 0.733 0 N-CA-C 114.821 0.688 . . . . 0.0 114.821 169.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.6 t -84.93 95.5 9.06 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 172.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 -102.03 165.87 10.93 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.282 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.4 m -71.13 152.82 43.06 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 166.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.629 HD12 ' HG2' ' A' ' 74' ' ' LYS . 50.3 mm -56.66 -41.39 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 122.948 0.499 . . . . 0.0 109.695 175.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.575 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 38.1 mt-10 -69.55 -34.79 74.7 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.863 178.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -64.68 -45.01 88.5 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 176.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.5 t -56.39 -59.75 2.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 O-C-N 124.216 0.947 . . . . 0.0 110.08 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.575 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 13.1 pt-20 -65.76 -37.75 87.21 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -171.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -83.75 -24.64 31.04 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.777 0.431 . . . . 0.0 111.966 -173.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -101.56 -8.53 21.8 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 25' ' ' LEU . 7.1 mt -64.86 115.72 5.62 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 118.608 0.64 . . . . 0.0 110.015 177.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.6 -17.36 12.23 Favored Glycine 0 C--N 1.338 0.647 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.152 -177.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.2 p -82.58 177.11 8.88 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 173.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -84.92 -13.43 50.83 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.04 0.536 . . . . 0.0 110.431 171.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -78.45 -40.57 35.29 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.84 0.856 . . . . 0.0 110.483 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.69 79.29 64.65 Favored Pre-proline 0 C--O 1.241 0.64 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 170.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.95 154.25 63.11 Favored 'Trans proline' 0 C--N 1.371 1.714 0 C-N-CA 121.767 1.644 . . . . 0.0 111.4 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -58.12 -38.89 77.39 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.343 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -49.81 -51.12 42.08 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.597 1.159 . . . . 0.0 111.109 173.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -66.81 -36.77 83.13 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.072 0.949 . . . . 0.0 111.723 -172.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.49 HD12 ' HB3' ' A' ' 69' ' ' LEU . 2.8 tm? -63.2 -51.45 66.29 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.46 HG23 ' HB3' ' A' ' 53' ' ' LEU . 71.4 mt -59.34 -37.61 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.74 178.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.5 m -62.16 -52.28 64.44 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 124.09 0.869 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.429 ' HD1' HD12 ' A' ' 39' ' ' LEU . 36.8 t80 -55.61 -46.58 77.32 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.065 0.546 . . . . 0.0 110.273 177.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.429 HD12 ' HD1' ' A' ' 38' ' ' TYR . 6.3 mp -58.91 -44.14 91.2 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.509 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.441 ' HA ' HD21 ' A' ' 48' ' ' LEU . 1.6 pt20 -79.3 -19.39 50.55 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -74.06 -49.44 24.13 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.11 0.481 . . . . 0.0 110.333 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -93.09 -24.82 18.16 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.685 -167.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.45 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . . . -88.89 173.75 8.33 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.409 0.623 . . . . 0.0 112.353 176.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -87.9 157.38 18.98 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 114.666 -1.152 . . . . 0.0 108.766 169.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.21 -29.73 47.35 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.759 0.823 . . . . 0.0 112.246 -174.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.86 -43.0 80.75 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.791 1.236 . . . . 0.0 112.388 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -64.05 -40.4 96.22 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.767 0.827 . . . . 0.0 110.424 -177.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.473 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.4 mm? -76.61 -29.12 56.39 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.677 -178.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -70.26 -29.39 66.17 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 122.672 0.389 . . . . 0.0 110.563 173.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -70.53 -59.19 2.98 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.66 0.784 . . . . 0.0 110.729 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -81.48 1.19 34.43 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.614 0.766 . . . . 0.0 112.335 -177.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? 69.12 24.03 6.25 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 124.731 1.213 . . . . 0.0 111.619 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.473 ' HB2' HD12 ' A' ' 48' ' ' LEU . 16.5 mt -86.84 6.02 33.82 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 124.334 1.054 . . . . 0.0 111.246 177.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.4 t -78.97 -13.19 59.94 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 123.768 0.827 . . . . 0.0 112.765 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.86 -155.39 10.36 Favored Glycine 0 C--N 1.354 1.555 0 C-N-CA 122.495 0.093 . . . . 0.0 113.119 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.405 ' O ' HG13 ' A' ' 60' ' ' ILE . 9.8 t -85.29 132.65 34.23 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 173.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.514 ' HA ' HD12 ' A' ' 60' ' ' ILE . 16.2 m120 -51.99 -32.27 33.04 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.469 1.108 . . . . 0.0 113.064 -171.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -59.47 -55.04 39.63 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.837 0.855 . . . . 0.0 110.865 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.9 m -69.58 -33.48 72.78 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.423 -176.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 57' ' ' ASN . 49.9 mt -65.22 -52.32 54.1 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.093 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.661 -179.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -68.82 -27.79 66.16 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.376 0.27 . . . . 0.0 110.922 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -65.38 -44.4 87.68 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.488 0.715 . . . . 0.0 110.325 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.422 HD22 ' N ' ' A' ' 63' ' ' ASN . 1.0 OUTLIER -87.02 -53.21 5.0 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 121.109 0.481 . . . . 0.0 111.058 -177.736 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -84.88 103.41 13.92 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.12 0.968 . . . . 0.0 108.536 -177.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -70.67 172.59 8.41 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.963 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.484 ' O ' HG13 ' A' ' 70' ' ' ILE . 75.5 m -50.96 -40.67 58.22 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.785 -1.098 . . . . 0.0 112.545 -176.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.454 ' HA ' HD12 ' A' ' 70' ' ' ILE . 12.6 m -52.02 -46.98 65.21 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.564 1.146 . . . . 0.0 112.251 -177.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -65.42 -38.3 89.51 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.348 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.49 ' HB3' HD12 ' A' ' 35' ' ' LEU . 58.1 mt -74.84 -24.71 58.64 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.575 -177.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 66' ' ' CYS . 62.2 mt -70.29 -50.9 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 172.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.43 -34.06 73.43 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.352 177.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.88 -47.8 61.2 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.65 0.78 . . . . 0.0 111.956 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -66.4 -38.96 88.66 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 122.835 0.454 . . . . 0.0 110.477 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.629 ' HG2' HD12 ' A' ' 18' ' ' ILE . 55.7 mtmt -61.63 -54.95 36.01 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 175.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 20.2 t70 -52.88 -36.34 59.12 Favored 'General case' 0 C--O 1.204 -1.322 0 O-C-N 124.205 0.941 . . . . 0.0 110.928 -179.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.45 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 7.3 t80 -66.8 -51.94 49.78 Favored 'General case' 0 C--O 1.258 1.536 0 C-N-CA 125.091 1.356 . . . . 0.0 111.653 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 41.5 t -63.57 -36.31 83.38 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.318 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 13.6 mm-40 -82.07 -24.37 35.29 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.017 0.927 . . . . 0.0 110.714 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.425 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 36.2 t-80 -66.98 -32.28 73.41 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.927 0.891 . . . . 0.0 109.781 174.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.127 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.866 176.282 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.852 0 CA-C-O 120.576 0.227 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.33 39.35 31.38 Favored Glycine 0 C--N 1.334 0.431 0 CA-C-N 116.183 -0.462 . . . . 0.0 113.878 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.1 p -91.5 107.66 19.36 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 169.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -114.23 167.04 11.04 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.422 0.689 . . . . 0.0 110.648 -172.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.3 m -76.23 158.88 31.17 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 166.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.43 HD12 ' HG2' ' A' ' 74' ' ' LYS . 49.0 mm -55.06 -44.14 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 123.054 0.542 . . . . 0.0 110.199 175.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.556 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 38.5 mt-10 -66.86 -38.59 86.64 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.377 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -63.73 -44.54 93.24 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 176.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.3 t -55.01 -60.97 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.487 0.715 . . . . 0.0 110.089 176.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.556 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.8 pt-20 -63.17 -46.52 86.72 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.346 0.658 . . . . 0.0 112.715 -169.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -71.83 -41.79 67.73 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 122.971 0.508 . . . . 0.0 110.826 -173.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -90.43 -8.84 49.52 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 119.004 -0.522 . . . . 0.0 111.507 -173.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mt -57.18 125.41 22.6 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 122.899 0.48 . . . . 0.0 111.565 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.9 -3.94 52.65 Favored Glycine 0 C--N 1.345 1.056 0 CA-C-N 115.504 -0.771 . . . . 0.0 113.207 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.2 p -100.19 -173.48 2.44 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 117.338 0.569 . . . . 0.0 110.383 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -79.72 -26.27 40.9 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.908 0.483 . . . . 0.0 110.223 170.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -63.1 -53.19 57.49 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.224 0.61 . . . . 0.0 109.668 176.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 30' ' ' LEU . 1.1 tm? -136.07 88.02 22.78 Favored Pre-proline 0 CA--C 1.542 0.654 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.91 157.58 54.55 Favored 'Trans proline' 0 C--N 1.364 1.38 0 C-N-CA 121.932 1.754 . . . . 0.0 111.332 173.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -55.37 -47.28 76.04 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.431 0.692 . . . . 0.0 110.64 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.409 ' OD1' ' HB3' ' A' ' 57' ' ' ASN . 5.0 t30 -57.74 -38.08 74.73 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.175 0.99 . . . . 0.0 111.914 -175.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -69.44 -37.34 77.34 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.579 0.752 . . . . 0.0 111.048 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.33 -51.52 67.31 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.942 0.897 . . . . 0.0 109.077 173.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.7 mt -57.41 -42.68 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 C-N-CA 124.942 1.297 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 85.5 m -64.65 -47.45 78.45 Favored 'General case' 0 C--N 1.347 0.465 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.065 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -58.39 -41.42 84.83 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.805 0.442 . . . . 0.0 110.828 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.404 HD11 ' HD1' ' A' ' 73' ' ' TYR . 9.2 mp -68.96 -36.98 78.55 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 122.828 0.451 . . . . 0.0 111.998 -178.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.02 -17.8 56.65 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 118.794 0.724 . . . . 0.0 111.603 176.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -80.35 -41.77 24.13 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.413 0.285 . . . . 0.0 110.879 172.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -89.77 -45.05 9.57 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -174.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.6 154.55 20.96 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.127 0.571 . . . . 0.0 111.821 -176.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -73.43 159.6 33.01 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.266 173.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.23 -31.32 31.62 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.434 1.094 . . . . 0.0 112.774 -174.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.28 -42.04 90.33 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.168 0.987 . . . . 0.0 112.333 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -67.25 -38.86 85.86 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.579 -177.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.524 HD12 ' HB2' ' A' ' 53' ' ' LEU . 2.0 mm? -71.74 -32.14 67.42 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.429 178.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -70.99 -25.81 62.86 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 122.634 0.374 . . . . 0.0 111.097 174.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -71.52 -53.91 12.29 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.152 0.581 . . . . 0.0 109.879 175.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -94.32 12.64 26.23 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.415 0.686 . . . . 0.0 112.633 -172.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.621 ' HB2' ' HD2' ' A' ' 64' ' ' ARG . 11.0 mmpt? 66.47 22.67 10.63 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.54 1.136 . . . . 0.0 112.0 172.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.524 ' HB2' HD12 ' A' ' 48' ' ' LEU . 19.6 mt -91.05 7.97 37.79 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.839 0.855 . . . . 0.0 110.565 177.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -82.09 -12.47 58.2 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 124.38 1.072 . . . . 0.0 112.7 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -77.82 -161.68 16.72 Favored Glycine 0 C--N 1.355 1.607 0 CA-C-O 120.18 -0.233 . . . . 0.0 112.798 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.41 ' O ' HG13 ' A' ' 60' ' ' ILE . 6.9 t -80.29 129.71 34.69 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 170.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.525 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.6 m-20 -51.76 -26.04 8.77 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 124.28 1.032 . . . . 0.0 113.774 -172.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -68.92 -49.76 55.31 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 123.382 0.673 . . . . 0.0 110.302 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.8 m -68.87 -27.74 66.07 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.252 177.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 57' ' ' ASN . 61.6 mt -71.76 -49.98 41.84 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 C-N-CA 122.85 0.46 . . . . 0.0 110.098 178.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -67.94 -19.68 65.0 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 122.156 -0.34 . . . . 0.0 111.327 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -79.13 -53.82 6.61 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 171.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -91.01 -14.54 31.22 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -167.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.621 ' HD2' ' HB2' ' A' ' 52' ' ' LYS . 3.1 mmp_? -103.15 110.0 21.78 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 176.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -65.42 166.75 9.7 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.177 177.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.51 ' O ' HG13 ' A' ' 70' ' ' ILE . 24.6 p -58.26 -44.91 88.6 Favored 'General case' 0 C--O 1.213 -0.849 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.499 175.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.56 ' HA ' HD12 ' A' ' 70' ' ' ILE . 48.3 m -55.65 -33.46 64.08 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.029 0.932 . . . . 0.0 112.873 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.1 -44.13 73.08 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.567 0.747 . . . . 0.0 109.111 178.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.2 mt -73.67 -24.61 60.0 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.471 1.109 . . . . 0.0 112.524 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.56 HD12 ' HA ' ' A' ' 67' ' ' SER . 56.5 mt -72.35 -48.75 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 173.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.34 -34.65 70.87 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.963 0.789 . . . . 0.0 111.326 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.89 -53.73 19.54 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.249 0.62 . . . . 0.0 111.556 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.404 ' HD1' HD11 ' A' ' 39' ' ' LEU . 39.2 t80 -65.52 -36.95 85.32 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.003 0.521 . . . . 0.0 110.474 -178.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.548 ' HE2' HG22 ' A' ' 70' ' ' ILE . 53.6 mtmt -63.83 -52.46 60.04 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 122.759 0.424 . . . . 0.0 110.438 176.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 31.1 t70 -55.89 -39.72 71.99 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 123.784 0.677 . . . . 0.0 110.709 -177.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -60.36 -53.46 57.3 Favored 'General case' 0 C--O 1.258 1.508 0 C-N-CA 124.443 1.097 . . . . 0.0 110.606 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 84.3 m -69.7 -34.43 73.89 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 114.395 -1.275 . . . . 0.0 112.913 -176.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -79.71 -26.31 40.9 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.459 1.103 . . . . 0.0 110.21 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.453 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 3.9 t60 -65.8 -39.09 90.57 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.89 0.876 . . . . 0.0 108.865 173.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.103 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 179.609 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.37 22.99 61.56 Favored Glycine 0 C--N 1.336 0.53 0 O-C-N 123.539 0.524 . . . . 0.0 114.282 175.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.6 p -87.86 78.3 8.36 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 173.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -90.95 172.93 8.25 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.344 0.657 . . . . 0.0 110.354 -175.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.6 m -85.23 157.5 20.59 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 164.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.3 mm -59.0 -41.49 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 123.341 0.656 . . . . 0.0 111.407 -178.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.546 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 42.5 mt-10 -68.41 -34.85 76.74 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.554 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -62.63 -39.77 94.88 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 173.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 68.9 t -61.65 -56.59 16.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.436 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.546 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 9.2 pt-20 -65.25 -36.4 84.02 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -173.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -81.35 -34.24 31.91 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.03 0.206 . . . . 0.0 111.445 -177.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -101.98 -0.3 33.96 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -175.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.7 mt -61.83 122.77 16.24 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 119.085 0.857 . . . . 0.0 111.201 177.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.7 10.58 60.11 Favored Glycine 0 C--N 1.349 1.255 0 CA-C-N 115.521 -0.763 . . . . 0.0 113.826 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.4 p -100.84 -171.3 1.98 Allowed 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 117.55 0.675 . . . . 0.0 110.634 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -79.74 -28.08 40.49 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.17 0.588 . . . . 0.0 110.593 172.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -68.26 -44.24 76.03 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.514 0.725 . . . . 0.0 110.123 176.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.0 tp -144.09 93.81 5.95 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.538 177.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -62.16 152.0 78.59 Favored 'Trans proline' 0 C--N 1.362 1.274 0 C-N-CA 121.896 1.731 . . . . 0.0 110.764 164.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -57.15 -34.47 68.46 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.043 0.537 . . . . 0.0 109.968 172.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -57.76 -49.99 74.73 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.586 177.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -66.51 -33.34 75.47 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.632 0.773 . . . . 0.0 111.351 -171.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' A' ' 69' ' ' LEU . 3.5 tm? -60.68 -58.05 10.12 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.387 173.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.7 mt -59.63 -36.54 65.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.788 -177.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.8 m -58.65 -52.37 65.98 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.38 1.072 . . . . 0.0 110.177 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.455 ' HD1' HD12 ' A' ' 39' ' ' LEU . 61.8 t80 -54.58 -46.18 73.71 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.406 0.682 . . . . 0.0 110.176 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.455 HD12 ' HD1' ' A' ' 38' ' ' TYR . 9.7 mp -63.88 -42.45 97.5 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.075 -0.512 . . . . 0.0 112.327 -176.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.47 -16.51 48.56 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.669 -0.645 . . . . 0.0 112.281 -179.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.5 mtpm? -77.24 -45.52 26.2 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.712 0.405 . . . . 0.0 111.224 171.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -87.49 -45.93 10.05 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.578 -172.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.52 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . . . -77.11 157.37 31.07 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 121.118 0.485 . . . . 0.0 111.918 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -76.57 158.89 30.78 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.572 167.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.86 -29.73 42.64 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.965 0.906 . . . . 0.0 112.825 -171.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.55 -44.85 73.25 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.547 1.139 . . . . 0.0 112.145 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -64.34 -42.98 95.97 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.41 -176.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.44 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.5 mm? -73.57 -28.66 61.97 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.613 -178.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -74.32 -21.77 59.56 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.855 0.462 . . . . 0.0 111.141 174.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -76.69 -49.28 16.48 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 122.61 0.364 . . . . 0.0 110.032 172.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -93.1 9.87 34.03 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -173.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.409 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 11.6 mmpt? 64.37 20.51 12.19 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 124.547 1.139 . . . . 0.0 111.67 175.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.603 ' HA ' HD13 ' A' ' 60' ' ' ILE . 32.0 mt -89.43 1.42 55.88 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 124.026 0.93 . . . . 0.0 110.629 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.2 t -74.52 -11.98 60.36 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.068 0.947 . . . . 0.0 112.554 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -78.8 -169.51 36.44 Favored Glycine 0 C--N 1.352 1.457 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 175.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.8 t -73.97 127.53 33.11 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 117.158 0.479 . . . . 0.0 109.72 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.571 ' HA ' HD12 ' A' ' 60' ' ' ILE . 40.2 t-20 -53.25 -36.15 60.79 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.914 1.286 . . . . 0.0 112.298 -170.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -58.72 -53.05 62.69 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.342 1.057 . . . . 0.0 111.054 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.402 ' HA ' ' HE2' ' A' ' 62' ' ' LYS . 28.8 t -62.62 -42.88 99.84 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.137 178.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.603 HD13 ' HA ' ' A' ' 53' ' ' LEU . 71.2 mt -57.04 -60.42 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 O-C-N 124.077 0.86 . . . . 0.0 110.569 -176.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -60.69 -30.98 70.26 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.848 0.459 . . . . 0.0 111.982 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.402 ' HE2' ' HA ' ' A' ' 59' ' ' SER . 38.3 ttpt -68.82 -39.5 80.01 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 122.887 0.475 . . . . 0.0 111.488 175.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.405 ' N ' HD22 ' A' ' 63' ' ' ASN . 0.8 OUTLIER -90.88 -18.71 24.33 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.934 0.894 . . . . 0.0 111.884 -173.221 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.508 ' HD3' ' HG3' ' A' ' 68' ' ' GLN . 7.9 mmp_? -107.58 148.54 29.16 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.41 0.684 . . . . 0.0 110.223 -176.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -78.09 167.51 21.32 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.151 171.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.466 ' O ' HG13 ' A' ' 70' ' ' ILE . 25.1 p -57.74 -42.06 83.14 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 170.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.604 ' HA ' HD12 ' A' ' 70' ' ' ILE . 22.9 m -51.86 -37.58 52.64 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.926 1.29 . . . . 0.0 113.589 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.508 ' HG3' ' HD3' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -66.29 -46.43 77.01 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 121.241 0.543 . . . . 0.0 109.716 178.202 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.439 ' HB3' HD12 ' A' ' 35' ' ' LEU . 55.8 mt -71.93 -31.75 66.65 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.897 -173.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 67' ' ' SER . 27.8 mt -65.48 -51.35 64.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 172.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.76 -40.1 69.01 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.455 1.102 . . . . 0.0 111.539 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.39 -48.29 67.82 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.934 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.403 ' HD1' HD11 ' A' ' 39' ' ' LEU . 53.3 t80 -65.46 -30.11 70.86 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 122.827 0.451 . . . . 0.0 110.94 178.147 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -67.97 -59.65 3.11 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.89 -25.45 65.1 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.833 0.453 . . . . 0.0 111.251 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.52 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 2.8 t80 -63.36 -60.8 2.9 Favored 'General case' 0 C--O 1.255 1.381 0 C-N-CA 123.851 0.86 . . . . 0.0 110.888 174.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 74.8 m -67.99 -34.49 76.63 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.939 -176.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -73.64 -35.11 65.25 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.616 0.767 . . . . 0.0 110.944 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -67.25 -29.42 69.04 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 174.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.107 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.89 176.426 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 60.08 39.84 96.3 Favored Glycine 0 C--N 1.344 0.978 0 O-C-N 123.614 0.571 . . . . 0.0 113.876 174.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.8 p -87.2 92.49 9.08 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -98.96 175.19 6.02 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 121.529 0.68 . . . . 0.0 111.299 -172.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.2 m -96.76 163.61 12.92 Favored 'General case' 0 C--O 1.245 0.857 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.141 166.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.9 mm -55.83 -45.62 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.093 0.957 . . . . 0.0 111.329 -178.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.563 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 45.3 mt-10 -72.77 -29.79 63.59 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.11 -174.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -62.17 -46.51 88.65 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 172.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.572 ' HA ' ' HG ' ' A' ' 30' ' ' LEU . 47.4 t -57.3 -60.74 1.73 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.719 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.563 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.7 pt-20 -66.43 -43.07 86.68 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -171.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -76.7 -26.99 55.31 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.918 0.487 . . . . 0.0 111.543 -174.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -109.25 1.8 20.44 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 118.557 -0.735 . . . . 0.0 112.055 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 mt -59.78 111.46 1.46 Allowed 'General case' 0 N--CA 1.49 1.556 0 CA-C-N 119.172 0.896 . . . . 0.0 110.396 175.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.66 21.75 11.01 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 115.226 -0.897 . . . . 0.0 113.168 -174.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.1 p -119.01 -177.0 3.23 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 117.328 0.564 . . . . 0.0 109.948 172.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -72.4 -34.06 67.6 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.461 0.704 . . . . 0.0 110.84 172.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -75.41 -23.73 57.06 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.544 0.737 . . . . 0.0 111.66 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.572 ' HG ' ' HA ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -150.36 85.76 5.3 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 172.536 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -65.16 148.74 89.23 Favored 'Trans proline' 0 C--N 1.368 1.574 0 C-N-CA 122.124 1.883 . . . . 0.0 111.545 168.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.499 ' NZ ' ' SG ' ' A' ' 66' ' ' CYS . 49.1 mttm -61.63 -36.75 81.67 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.027 173.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -63.88 -50.92 66.87 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 124.015 0.822 . . . . 0.0 109.339 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -59.85 -35.02 73.88 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.717 1.207 . . . . 0.0 111.692 -177.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.524 HD12 ' HB3' ' A' ' 69' ' ' LEU . 3.1 tm? -64.47 -56.21 15.67 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.531 0.732 . . . . 0.0 109.739 175.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.1 mt -59.6 -36.29 64.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 C-N-CA 123.983 0.913 . . . . 0.0 111.062 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 99.5 m -63.96 -50.32 69.08 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.899 0.88 . . . . 0.0 109.869 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -56.0 -42.65 76.73 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.355 0.662 . . . . 0.0 110.598 177.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.37 -45.01 89.59 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.569 -178.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.467 ' HA ' HD21 ' A' ' 48' ' ' LEU . 1.4 pt20 -77.74 -17.39 57.62 Favored 'General case' 0 N--CA 1.484 1.225 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -81.47 -51.32 8.41 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.641 0.376 . . . . 0.0 111.168 173.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -90.42 -33.04 16.17 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.528 0.731 . . . . 0.0 112.596 -168.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.37 165.94 16.82 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 117.915 0.325 . . . . 0.0 110.963 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -77.61 155.8 31.23 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.549 0.739 . . . . 0.0 109.551 177.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.42 -32.64 68.86 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.271 0.628 . . . . 0.0 111.512 -176.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.45 -41.01 72.3 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.511 1.124 . . . . 0.0 111.991 175.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -66.48 -37.65 85.55 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.973 0.909 . . . . 0.0 110.956 -176.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.467 HD21 ' HA ' ' A' ' 40' ' ' GLN . 1.6 mm? -77.0 -32.3 57.11 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.515 0.326 . . . . 0.0 110.836 178.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -78.1 -13.22 59.95 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.805 0.442 . . . . 0.0 110.854 175.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -81.45 -49.64 10.39 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.447 1.099 . . . . 0.0 110.321 171.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -91.01 0.99 57.41 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.51 0.724 . . . . 0.0 112.318 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm 63.84 27.52 14.55 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.763 1.225 . . . . 0.0 111.524 177.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.436 ' HA ' HD13 ' A' ' 60' ' ' ILE . 22.1 mt -85.92 1.43 50.03 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.024 172.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.4 t -65.87 -21.1 66.44 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.65 1.18 . . . . 0.0 112.408 176.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.59 -171.17 29.81 Favored Glycine 0 C--N 1.349 1.292 0 CA-C-N 116.499 -0.319 . . . . 0.0 113.34 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.0 t -74.68 133.55 42.08 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.557 ' HA ' HD12 ' A' ' 60' ' ' ILE . 39.4 t-20 -57.44 -34.15 68.65 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.081 0.952 . . . . 0.0 111.745 -170.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -54.81 -54.92 35.9 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.869 0.868 . . . . 0.0 110.168 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.2 m -68.27 -25.85 65.37 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.863 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 57' ' ' ASN . 55.5 mt -73.05 -60.77 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 178.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 8.1 ptm180 -62.58 -16.36 55.94 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.301 0.641 . . . . 0.0 112.266 -178.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -87.23 -52.49 5.37 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 122.297 0.239 . . . . 0.0 111.553 173.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.84 -49.16 14.83 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 123.076 0.55 . . . . 0.0 110.943 -173.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.87 142.99 47.94 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 172.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -94.43 -178.65 4.65 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 172.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.499 ' SG ' ' NZ ' ' A' ' 32' ' ' LYS . 87.0 m -59.41 -39.82 84.66 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.942 0.497 . . . . 0.0 111.795 -177.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.9 m -54.04 -38.89 65.68 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -174.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -65.06 -40.95 95.46 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 122.768 0.427 . . . . 0.0 111.478 176.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.524 ' HB3' HD12 ' A' ' 35' ' ' LEU . 44.4 mt -74.49 -36.07 63.24 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.927 -174.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 66' ' ' CYS . 49.3 mt -64.82 -53.91 36.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 174.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.58 -35.87 77.14 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 114.499 -1.228 . . . . 0.0 111.381 -176.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.36 -44.96 81.75 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.085 0.554 . . . . 0.0 111.268 175.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -64.44 -37.59 88.06 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 122.32 0.248 . . . . 0.0 110.443 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.527 ' O ' ' HG2' ' A' ' 78' ' ' GLU . 9.4 mtpm? -62.98 -59.1 5.28 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.792 0.837 . . . . 0.0 109.409 177.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 1.4 m-20 -54.24 -33.74 59.1 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.126 0.97 . . . . 0.0 111.816 -178.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -66.89 -52.14 46.88 Favored 'General case' 0 C--O 1.256 1.418 0 C-N-CA 123.504 0.722 . . . . 0.0 110.558 176.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 71.0 m -63.37 -26.04 68.57 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.093 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 8.2 mm-40 -90.72 -27.79 18.72 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.68 0.792 . . . . 0.0 110.965 179.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.432 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 19.9 t60 -78.36 -16.27 57.85 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.189 0.596 . . . . 0.0 110.838 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.425 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.946 178.485 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.508 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.46 24.78 53.08 Favored Glycine 0 C--N 1.341 0.826 0 N-CA-C 114.631 0.612 . . . . 0.0 114.631 173.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.2 t -80.06 84.41 5.79 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 174.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 -95.06 -179.25 4.75 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.324 0.649 . . . . 0.0 110.43 -177.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.8 m -91.81 160.49 15.29 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 165.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 74' ' ' LYS . 45.9 mm -57.63 -43.66 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 123.497 0.498 . . . . 0.0 109.745 174.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.572 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 48.9 mt-10 -68.12 -37.05 80.7 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.13 -179.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -62.79 -42.97 99.94 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.4 t -58.6 -63.15 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.539 175.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.572 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.3 pt-20 -63.33 -42.08 98.94 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -169.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -75.89 -37.65 58.61 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.031 0.533 . . . . 0.0 111.333 -174.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -96.87 -0.05 48.39 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 118.789 -0.624 . . . . 0.0 112.134 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.535 HD22 ' HG2' ' A' ' 32' ' ' LYS . 6.3 mt -58.78 119.97 8.11 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 118.694 0.679 . . . . 0.0 110.95 177.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.11 -23.89 26.18 Favored Glycine 0 C--N 1.34 0.801 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.435 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.2 p -78.74 170.1 17.19 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -72.21 -17.01 61.95 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.95 0.5 . . . . 0.0 110.771 174.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -74.17 -36.38 64.07 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.668 0.787 . . . . 0.0 110.774 179.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -147.45 80.48 9.13 Favored Pre-proline 0 N--CA 1.475 0.794 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.449 ' HG2' ' HB2' ' A' ' 34' ' ' ASP . 39.5 Cg_endo -68.74 146.82 67.82 Favored 'Trans proline' 0 C--N 1.373 1.822 0 C-N-CA 121.791 1.661 . . . . 0.0 111.192 174.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.707 ' HD3' ' SG ' ' A' ' 66' ' ' CYS . 56.2 mtmt -56.63 -39.59 73.92 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.249 1.02 . . . . 0.0 111.128 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -55.75 -45.16 78.09 Favored 'General case' 0 CA--C 1.553 1.064 0 O-C-N 124.191 0.932 . . . . 0.0 110.876 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.449 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 0.3 OUTLIER -64.98 -37.85 89.01 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 123.666 0.786 . . . . 0.0 111.523 -178.775 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.541 HD23 ' HB3' ' A' ' 69' ' ' LEU . 54.8 tp -60.97 -56.21 23.81 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.258 0.552 . . . . 0.0 109.926 177.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.434 HG22 ' NE2' ' A' ' 40' ' ' GLN . 60.3 mt -54.3 -40.04 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 114.558 -1.201 . . . . 0.0 111.165 178.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.6 m -58.88 -49.96 75.82 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 124.083 0.865 . . . . 0.0 110.685 176.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.454 ' HD2' HD12 ' A' ' 39' ' ' LEU . 66.9 t80 -56.12 -48.1 76.84 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 123.684 0.615 . . . . 0.0 110.414 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.454 HD12 ' HD2' ' A' ' 38' ' ' TYR . 10.7 mp -63.96 -43.34 96.07 Favored 'General case' 0 C--O 1.207 -1.142 0 O-C-N 123.852 0.72 . . . . 0.0 111.704 -176.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.434 ' NE2' HG22 ' A' ' 36' ' ' ILE . 1.4 pt20 -75.96 -19.03 59.07 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 121.55 -0.719 . . . . 0.0 112.218 -178.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -79.12 -49.29 12.84 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 123.125 0.266 . . . . 0.0 111.134 172.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.404 HD22 ' N ' ' A' ' 42' ' ' ASN . 1.0 OUTLIER -84.78 -45.27 12.53 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.335 0.254 . . . . 0.0 110.818 -171.678 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.422 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . . . -77.93 152.11 33.38 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.733 0.413 . . . . 0.0 111.19 178.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -75.71 156.8 34.34 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 124.121 0.969 . . . . 0.0 109.203 174.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.16 -31.66 32.32 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.9 0.88 . . . . 0.0 113.229 -169.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.12 79.39 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.549 1.14 . . . . 0.0 112.335 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.409 ' HE2' HD23 ' A' ' 39' ' ' LEU . 59.1 t80 -63.45 -40.65 97.71 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.467 -177.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.483 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.7 mm? -75.68 -29.9 59.19 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.616 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 -76.38 -14.76 60.06 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.746 0.419 . . . . 0.0 110.895 174.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -78.34 -58.54 3.2 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.241 0.616 . . . . 0.0 109.504 169.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -86.16 4.97 36.14 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.337 0.655 . . . . 0.0 112.709 -173.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.28 22.98 5.22 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 125.053 1.341 . . . . 0.0 112.087 175.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.489 ' HA ' HD13 ' A' ' 60' ' ' ILE . 18.2 mt -90.97 7.46 40.15 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.834 0.853 . . . . 0.0 111.462 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -82.9 -16.42 47.59 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -173.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.32 -146.4 7.58 Favored Glycine 0 N--CA 1.479 1.522 0 CA-C-O 120.176 -0.235 . . . . 0.0 112.817 -175.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.9 t -80.29 126.44 31.14 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 173.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.467 ' HA ' HD12 ' A' ' 60' ' ' ILE . 32.3 t-20 -58.71 -27.05 64.51 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.876 0.87 . . . . 0.0 111.857 -171.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -61.32 -52.58 64.08 Favored 'General case' 0 C--O 1.249 1.069 0 C-N-CA 123.843 0.857 . . . . 0.0 111.627 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -67.33 -26.24 66.4 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.43 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.489 HD13 ' HA ' ' A' ' 53' ' ' LEU . 45.9 mt -78.64 -52.74 15.02 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.943 0 C-N-CA 122.635 0.374 . . . . 0.0 110.631 -178.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -58.68 -34.45 71.29 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.591 -0.693 . . . . 0.0 111.198 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -78.19 -55.09 5.54 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.797 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -90.82 -33.43 15.69 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.281 0.632 . . . . 0.0 112.535 -167.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -78.21 119.57 21.78 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -60.11 146.6 42.53 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 123.812 0.695 . . . . 0.0 111.271 -174.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.707 ' SG ' ' HD3' ' A' ' 32' ' ' LYS . 20.6 m -54.83 -42.01 71.4 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 123.863 0.727 . . . . 0.0 110.197 177.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.476 ' HA ' HD12 ' A' ' 70' ' ' ILE . 17.0 m -55.87 -40.33 72.77 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.38 1.072 . . . . 0.0 111.941 176.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -68.83 -36.82 78.67 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.528 0.731 . . . . 0.0 110.5 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.541 ' HB3' HD23 ' A' ' 35' ' ' LEU . 72.0 mt -70.09 -39.71 75.39 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.859 0.864 . . . . 0.0 111.197 -179.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 67' ' ' SER . 28.2 mt -58.27 -51.8 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 172.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.23 -35.88 67.85 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 124.42 1.075 . . . . 0.0 111.448 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.34 -54.26 26.61 Favored 'General case' 0 CA--C 1.552 1.05 0 O-C-N 123.631 0.582 . . . . 0.0 111.341 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.43 ' HB2' HD11 ' A' ' 35' ' ' LEU . 77.1 t80 -62.37 -35.61 79.71 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 123.511 0.724 . . . . 0.0 111.148 178.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.496 ' HA ' HD12 ' A' ' 18' ' ' ILE . 33.4 ttmt -67.61 -50.12 59.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.688 -1.142 . . . . 0.0 108.496 -174.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.87 -31.37 72.52 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.021 -1.445 . . . . 0.0 111.242 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 7.3 t80 -64.1 -51.58 63.33 Favored 'General case' 0 C--O 1.252 1.222 0 C-N-CA 124.155 0.982 . . . . 0.0 110.89 178.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 69.5 m -65.99 -41.62 90.86 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.88 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -66.87 -30.34 70.49 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.395 0.678 . . . . 0.0 110.947 176.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -69.17 -30.95 69.28 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.617 0.767 . . . . 0.0 110.375 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 1.021 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.715 177.662 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.6 ptm . . . . . 0 N--CA 1.472 0.652 0 CA-C-O 120.585 0.231 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.96 20.82 79.09 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 115.532 0.973 . . . . 0.0 115.532 167.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.9 m -82.69 81.06 8.61 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 175.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.488 ' CE2' HD21 ' A' ' 30' ' ' LEU . 2.7 m-90 -100.18 170.9 8.14 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.208 0.603 . . . . 0.0 110.597 -178.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.7 m -82.34 156.19 24.37 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.1 164.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.597 HD12 ' HG2' ' A' ' 74' ' ' LYS . 45.6 mm -54.37 -40.4 48.42 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 C-N-CA 123.854 0.862 . . . . 0.0 110.885 177.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.61 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 38.2 mt-10 -70.66 -37.7 73.73 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.685 -178.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -61.6 -42.68 99.21 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-N 118.36 0.527 . . . . 0.0 109.632 176.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.8 t -56.31 -62.99 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.237 175.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.61 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 13.1 pt-20 -65.41 -35.89 82.29 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -169.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -78.46 -41.99 31.12 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.324 0.39 . . . . 0.0 110.842 -176.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -93.38 -6.84 46.28 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -175.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 25' ' ' LEU . 7.0 mt -62.91 115.99 4.88 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 118.909 0.777 . . . . 0.0 110.8 178.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 119.8 -16.14 10.33 Favored Glycine 0 C--N 1.344 0.978 0 CA-C-N 115.255 -0.884 . . . . 0.0 112.301 -178.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.3 p -94.01 -178.51 4.67 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.383 0.673 . . . . 0.0 110.53 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.95 -26.44 54.02 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.957 0.503 . . . . 0.0 110.399 170.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -66.44 -40.05 89.26 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.43 0.692 . . . . 0.0 111.068 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.488 HD21 ' CE2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -139.89 88.16 12.2 Favored Pre-proline 0 N--CA 1.472 0.654 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 172.695 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.572 ' HG2' ' HB2' ' A' ' 34' ' ' ASP . 35.5 Cg_endo -67.56 143.63 63.47 Favored 'Trans proline' 0 C--N 1.368 1.58 0 C-N-CA 121.917 1.745 . . . . 0.0 111.161 173.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -58.6 -32.11 68.67 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.236 1.015 . . . . 0.0 110.478 174.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.43 -53.88 48.25 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.104 173.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.572 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 8.9 t70 -68.67 -28.78 67.18 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.437 0.695 . . . . 0.0 111.568 -172.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 39' ' ' LEU . 2.7 tm? -62.28 -57.44 11.37 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 173.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.454 HG22 ' NE2' ' A' ' 40' ' ' GLN . 65.5 mt -60.63 -34.45 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.437 -179.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.0 m -61.63 -47.52 85.02 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.283 1.033 . . . . 0.0 110.33 176.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.541 ' HD1' HD12 ' A' ' 39' ' ' LEU . 62.3 t80 -54.5 -49.52 69.96 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 176.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.541 HD12 ' HD1' ' A' ' 38' ' ' TYR . 11.1 mp -65.32 -40.0 93.16 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.883 -174.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.454 ' NE2' HG22 ' A' ' 36' ' ' ILE . 0.9 OUTLIER -78.24 -18.23 55.64 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.329 -0.857 . . . . 0.0 112.051 179.462 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -78.38 -52.66 8.25 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.624 0.37 . . . . 0.0 111.495 173.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -93.2 -36.26 12.71 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -168.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 39' ' ' LEU . . . -84.11 154.03 23.4 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 177.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.09 155.78 39.91 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.742 0.817 . . . . 0.0 109.396 175.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.457 ' HA ' HD23 ' A' ' 48' ' ' LEU . . . -57.04 -28.04 62.19 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.579 0.752 . . . . 0.0 112.206 -171.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.12 -42.89 77.56 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.145 0.978 . . . . 0.0 112.141 177.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -65.14 -38.17 89.77 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.537 0.735 . . . . 0.0 110.407 -177.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.544 HD12 ' HB2' ' A' ' 53' ' ' LEU . 2.2 mm? -72.92 -31.96 64.99 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.248 178.165 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -71.57 -24.17 61.87 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.082 0.553 . . . . 0.0 111.016 174.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -75.68 -49.92 16.91 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.097 0.559 . . . . 0.0 110.748 176.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -94.21 9.23 38.79 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -174.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.412 ' HG3' ' NH2' ' A' ' 64' ' ' ARG . 11.6 mmpt? 68.28 20.49 8.74 Favored 'General case' 0 N--CA 1.497 1.922 0 C-N-CA 124.963 1.305 . . . . 0.0 111.834 176.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.616 ' HA ' HD13 ' A' ' 60' ' ' ILE . 21.5 mt -89.08 0.69 56.49 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 123.904 0.882 . . . . 0.0 111.596 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.8 t -75.13 -12.88 60.4 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 123.933 0.893 . . . . 0.0 113.005 -178.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -86.66 -151.55 19.56 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-O 120.212 -0.215 . . . . 0.0 113.174 -177.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.2 t -80.31 122.4 26.86 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.019 0.527 . . . . 0.0 110.032 175.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.464 ' HA ' HD12 ' A' ' 60' ' ' ILE . 37.3 t-20 -55.72 -30.38 61.08 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 124.292 1.037 . . . . 0.0 112.091 -170.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.07 -54.22 47.35 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.669 0.788 . . . . 0.0 111.373 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.0 m -65.74 -34.3 77.87 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.107 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.616 HD13 ' HA ' ' A' ' 53' ' ' LEU . 59.6 mt -67.21 -52.17 45.68 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.209 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.826 -178.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -67.88 -21.66 65.15 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 118.371 0.532 . . . . 0.0 111.1 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -67.85 -51.53 47.29 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.39 0.676 . . . . 0.0 111.722 173.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -82.62 -52.67 6.59 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 121.54 0.686 . . . . 0.0 110.81 -178.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.53 ' HD2' ' HG2' ' A' ' 68' ' ' GLN . 20.2 mmt180 -87.41 96.25 10.3 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.058 178.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -89.96 -163.14 0.96 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.197 0.599 . . . . 0.0 109.799 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.469 ' O ' HG13 ' A' ' 70' ' ' ILE . 20.8 p -45.92 -59.32 2.89 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.208 1.003 . . . . 0.0 113.592 -170.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.525 ' HA ' HD12 ' A' ' 70' ' ' ILE . 11.0 m -51.32 -44.43 61.96 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 124.266 1.026 . . . . 0.0 113.1 -172.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.53 ' HG2' ' HD2' ' A' ' 64' ' ' ARG . 23.5 tp60 -64.46 -43.35 94.51 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.556 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.425 ' HB3' HD12 ' A' ' 35' ' ' LEU . 80.5 mt -75.31 -28.9 59.87 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.714 -174.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 67' ' ' SER . 19.2 mt -68.91 -46.14 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 173.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.38 -36.85 76.55 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.863 0.865 . . . . 0.0 111.793 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.56 -47.45 48.02 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.411 0.684 . . . . 0.0 111.519 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -61.44 -45.33 94.74 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.627 0.771 . . . . 0.0 110.234 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.597 ' HG2' HD12 ' A' ' 18' ' ' ILE . 58.0 mtmt -60.28 -51.37 69.85 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.792 175.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -51.47 -40.95 60.5 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.382 0.673 . . . . 0.0 111.551 -175.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -67.97 -55.1 13.95 Favored 'General case' 0 C--O 1.261 1.664 0 CA-C-O 121.63 0.728 . . . . 0.0 110.081 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 41.8 t -58.4 -31.44 67.69 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 114.52 -1.218 . . . . 0.0 112.274 -177.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 18.4 mm-40 -91.69 -29.47 16.83 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.155 0.982 . . . . 0.0 110.807 -177.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.67 -22.27 66.62 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 123.1 0.56 . . . . 0.0 110.811 176.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 1.068 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 178.287 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.495 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.21 16.3 80.67 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 115.073 0.789 . . . . 0.0 115.073 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.0 t -86.75 78.73 9.04 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 177.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -90.38 177.62 6.34 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.929 0.892 . . . . 0.0 111.391 -173.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.3 m -83.24 154.87 23.97 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.042 165.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 43.9 mm -58.79 -43.19 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 123.175 0.59 . . . . 0.0 110.79 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.572 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 40.7 mt-10 -69.83 -32.6 71.1 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.64 -179.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -64.97 -42.72 94.31 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 175.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.0 t -56.47 -63.11 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.209 175.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.572 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.1 pt-20 -62.82 -43.94 97.48 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -170.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -74.9 -32.9 61.95 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 122.733 0.413 . . . . 0.0 111.166 -174.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -96.49 -6.13 37.91 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 118.506 -0.759 . . . . 0.0 112.411 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.433 HD22 ' HG2' ' A' ' 32' ' ' LYS . 11.2 mt -61.51 113.89 2.93 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 119.252 0.933 . . . . 0.0 111.527 177.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.98 -15.6 25.88 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.919 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.4 p -79.41 172.5 13.71 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 117.181 0.491 . . . . 0.0 110.672 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -68.2 -29.58 68.47 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.026 171.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -71.24 -33.96 70.33 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.824 0.85 . . . . 0.0 111.922 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.11 81.95 7.95 Favored Pre-proline 0 N--CA 1.476 0.83 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 178.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.441 ' HG2' ' HB2' ' A' ' 34' ' ' ASP . 29.5 Cg_endo -64.32 151.6 84.78 Favored 'Trans proline' 0 C--N 1.367 1.53 0 C-N-CA 122.207 1.938 . . . . 0.0 111.358 171.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.433 ' HG2' HD22 ' A' ' 25' ' ' LEU . 54.4 mtmt -60.14 -36.12 76.81 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.305 0.642 . . . . 0.0 111.039 176.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -49.78 -43.19 48.1 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.12 0.968 . . . . 0.0 111.397 174.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.441 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 31.7 t70 -73.27 -34.92 66.06 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.362 1.065 . . . . 0.0 111.993 -172.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.563 ' HB3' HD23 ' A' ' 69' ' ' LEU . 2.8 tm? -64.31 -48.59 75.04 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 174.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.531 HG23 ' HB3' ' A' ' 53' ' ' LEU . 81.3 mt -57.8 -39.82 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.711 177.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.8 m -62.67 -46.9 86.04 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.864 0.865 . . . . 0.0 111.158 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -58.08 -46.33 85.64 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.3 mp -62.64 -44.2 96.87 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.376 -177.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.448 ' HA ' HD21 ' A' ' 48' ' ' LEU . 1.4 pt20 -73.94 -18.8 60.84 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -178.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -79.91 -55.04 5.26 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 122.425 0.29 . . . . 0.0 111.302 173.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -85.85 -20.42 29.14 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -168.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.51 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . . . -92.85 173.77 7.58 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.545 0.688 . . . . 0.0 112.114 174.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.88 157.13 18.54 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 114.031 -1.441 . . . . 0.0 108.366 167.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.61 -28.2 44.9 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.884 0.874 . . . . 0.0 112.976 -173.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.82 -41.25 77.49 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.425 1.09 . . . . 0.0 112.612 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -65.24 -36.93 85.65 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.669 0.788 . . . . 0.0 110.794 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.462 HD12 ' HB2' ' A' ' 53' ' ' LEU . 2.1 mm? -79.83 -30.24 40.35 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.649 -177.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -69.3 -30.94 69.12 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 172.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -66.78 -56.94 8.21 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.907 0.883 . . . . 0.0 110.846 177.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -85.16 4.09 36.04 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.153 0.581 . . . . 0.0 112.112 -177.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 69.38 23.12 6.25 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 125.133 1.373 . . . . 0.0 111.755 175.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.531 ' HB3' HG23 ' A' ' 36' ' ' ILE . 22.0 mt -86.92 9.74 18.41 Favored 'General case' 0 CA--C 1.564 1.501 0 C-N-CA 124.683 1.193 . . . . 0.0 111.693 177.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -79.4 -4.85 52.99 Favored 'General case' 0 CA--C 1.565 1.524 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -92.33 -140.97 9.88 Favored Glycine 0 N--CA 1.487 2.091 0 CA-C-O 120.072 -0.293 . . . . 0.0 113.554 -176.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.5 t -95.97 125.75 40.74 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 170.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.489 ' HA ' HD12 ' A' ' 60' ' ' ILE . 4.7 m-20 -51.85 -25.19 7.32 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 124.449 1.1 . . . . 0.0 113.691 -171.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 61' ' ' ARG . 14.2 tmtt? -66.8 -56.09 11.97 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.831 0.852 . . . . 0.0 110.62 177.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.9 m -72.88 -27.61 62.01 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.826 -177.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.521 HD13 ' HA ' ' A' ' 53' ' ' LEU . 70.1 mt -64.66 -59.51 4.08 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.127 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 173.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 15.2 ptt180 -59.88 -25.78 65.35 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 122.884 0.474 . . . . 0.0 111.108 -175.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.06 -53.63 35.88 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 122.841 0.456 . . . . 0.0 110.119 171.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -85.13 1.43 47.95 Favored 'General case' 0 N--CA 1.499 1.977 0 C-N-CA 123.391 0.676 . . . . 0.0 112.321 -178.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.56 ' HE ' ' HA ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -132.48 97.27 4.04 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -176.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -69.03 171.91 7.48 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.397 0.679 . . . . 0.0 110.947 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.511 ' O ' HG13 ' A' ' 70' ' ' ILE . 24.1 p -52.82 -43.65 66.12 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.77 179.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.425 ' HA ' HD12 ' A' ' 70' ' ' ILE . 46.1 m -47.33 -51.78 18.4 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.659 1.184 . . . . 0.0 112.638 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -44.29 96.31 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.605 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.563 HD23 ' HB3' ' A' ' 35' ' ' LEU . 11.1 mp -69.7 -32.37 70.92 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.787 0.835 . . . . 0.0 112.889 -178.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 66' ' ' CYS . 30.1 mt -66.41 -53.63 34.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 177.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.04 -32.94 71.38 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 124.424 1.077 . . . . 0.0 111.683 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.49 -50.02 64.64 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.261 0.625 . . . . 0.0 111.679 176.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -68.35 -32.62 72.85 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.637 0.775 . . . . 0.0 110.611 -178.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -65.4 -59.74 3.7 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.57 -26.79 56.18 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 124.119 0.968 . . . . 0.0 112.081 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.51 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 4.5 t80 -68.57 -58.53 4.15 Favored 'General case' 0 C--O 1.252 1.187 0 C-N-CA 124.028 0.931 . . . . 0.0 110.58 177.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 35.1 t -70.02 -25.5 63.6 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.492 -176.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -86.4 -25.11 25.46 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.015 0.926 . . . . 0.0 110.851 178.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -67.56 -27.79 67.24 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 168.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.175 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 178.712 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.4 ptm . . . . . 0 N--CA 1.468 0.466 0 CA-C-O 121.225 0.536 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.498 ' HA2' ' CZ2' ' A' ' 16' ' ' TRP . . . 78.51 17.09 78.34 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 114.446 -1.252 . . . . 0.0 115.867 166.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.2 m -90.13 80.2 6.34 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 117.505 0.652 . . . . 0.0 109.571 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.498 ' CZ2' ' HA2' ' A' ' 14' ' ' GLY . 2.9 m-90 -100.25 173.71 6.48 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.009 0.924 . . . . 0.0 109.61 178.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.6 m -82.65 159.66 22.62 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 168.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.534 HD12 ' HG2' ' A' ' 74' ' ' LYS . 49.3 mm -60.69 -47.9 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 123.073 0.549 . . . . 0.0 111.156 -176.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.633 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 48.7 mt-10 -68.8 -30.61 69.22 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.439 -177.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -62.53 -44.94 95.13 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 174.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.7 t -59.42 -62.16 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.829 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.633 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 13.5 pt-20 -63.79 -35.12 79.57 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 112.7 0.629 . . . . 0.0 112.7 -169.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -77.97 -45.44 23.88 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 122.437 0.295 . . . . 0.0 111.042 -178.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -84.43 -8.53 58.94 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.47 -175.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mt -63.71 119.27 9.6 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 118.178 0.445 . . . . 0.0 109.973 174.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.86 -21.65 11.09 Favored Glycine 0 C--N 1.338 0.655 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.501 -177.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.7 p -84.56 -176.74 6.37 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 171.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -96.69 -8.29 31.83 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 109.965 -0.384 . . . . 0.0 109.965 171.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -68.95 -46.3 68.55 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.37 82.88 62.1 Favored Pre-proline 0 N--CA 1.477 0.88 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 168.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.68 148.38 46.91 Favored 'Trans proline' 0 C--N 1.368 1.571 0 C-N-CA 121.609 1.539 . . . . 0.0 110.732 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -56.06 -40.26 73.28 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.59 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -57.19 -43.34 82.62 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.005 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.424 ' HA ' ' HB ' ' A' ' 37' ' ' THR . 26.2 t70 -78.65 -24.55 45.13 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -173.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.83 -51.0 53.52 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 173.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.9 mt -59.4 -39.01 78.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.235 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.424 ' HB ' ' HA ' ' A' ' 34' ' ' ASP . 16.2 m -58.63 -46.69 86.54 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 124.424 1.077 . . . . 0.0 110.684 175.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -55.3 -48.59 73.87 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 123.401 0.438 . . . . 0.0 110.172 176.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.8 mt -64.09 -40.17 95.64 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.669 -174.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.517 ' HA ' HD21 ' A' ' 48' ' ' LEU . 1.4 pt20 -81.36 -18.56 45.19 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -178.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -78.75 -55.43 5.18 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 120.899 0.381 . . . . 0.0 110.821 172.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -89.2 -18.65 26.69 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -165.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.49 175.24 5.54 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 118.565 0.621 . . . . 0.0 112.003 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -81.84 161.04 23.34 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.924 0.889 . . . . 0.0 110.212 175.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.29 -33.69 67.92 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.361 0.665 . . . . 0.0 110.717 177.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.86 -41.58 70.99 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.504 1.122 . . . . 0.0 112.071 177.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -66.93 -38.98 87.2 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.855 0.862 . . . . 0.0 110.592 -176.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.517 HD21 ' HA ' ' A' ' 40' ' ' GLN . 1.9 mm? -70.38 -45.02 66.84 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.107 178.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -60.31 -31.11 69.96 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.112 0.565 . . . . 0.0 110.973 176.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -69.3 -46.84 66.19 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.242 1.017 . . . . 0.0 110.718 177.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -96.59 13.11 29.29 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.168 0.587 . . . . 0.0 112.339 -178.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt 63.8 21.91 12.85 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 124.519 1.128 . . . . 0.0 112.424 175.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.495 ' HB2' HD12 ' A' ' 48' ' ' LEU . 13.4 mt -91.31 16.89 9.17 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 124.646 1.178 . . . . 0.0 111.378 178.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.3 t -81.71 -16.58 50.76 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.133 0.573 . . . . 0.0 112.438 -176.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.83 -168.58 39.59 Favored Glycine 0 N--CA 1.483 1.768 0 CA-C-O 119.823 -0.432 . . . . 0.0 112.558 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.2 t -71.59 136.28 47.34 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 117.685 0.742 . . . . 0.0 110.131 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.586 ' HA ' HD12 ' A' ' 60' ' ' ILE . 35.9 t-20 -59.03 -28.03 66.04 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.39 1.076 . . . . 0.0 112.042 -169.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -65.59 -48.53 72.0 Favored 'General case' 0 C--O 1.252 1.232 0 C-N-CA 123.621 0.768 . . . . 0.0 110.744 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.5 t -64.71 -37.81 88.85 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.176 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.586 HD12 ' HA ' ' A' ' 57' ' ' ASN . 56.8 mt -65.05 -50.94 72.08 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 C-N-CA 122.926 0.491 . . . . 0.0 110.568 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -65.13 -21.73 66.83 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.519 0.328 . . . . 0.0 110.97 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.19 -59.47 2.69 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 170.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -76.09 -44.3 39.43 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.043 0.449 . . . . 0.0 111.027 -169.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.62 124.28 28.0 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.753 0.821 . . . . 0.0 109.089 172.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -86.94 -179.05 6.44 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.224 174.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.452 ' O ' HG13 ' A' ' 70' ' ' ILE . 26.1 p -52.13 -43.51 64.04 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.797 0.839 . . . . 0.0 110.944 178.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.6 m -49.86 -46.38 51.38 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.92 1.288 . . . . 0.0 113.025 -176.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -65.62 -40.26 92.38 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.278 0.631 . . . . 0.0 111.071 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.2 mp -70.61 -37.79 73.9 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.739 -1.118 . . . . 0.0 111.394 -177.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.552 HG22 ' HE2' ' A' ' 74' ' ' LYS . 47.2 mt -66.89 -47.57 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.87 90.21 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.716 0.806 . . . . 0.0 111.439 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.58 -44.22 71.24 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.508 0.723 . . . . 0.0 112.262 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -67.8 -45.07 75.81 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 122.75 0.42 . . . . 0.0 110.102 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.552 ' HE2' HG22 ' A' ' 70' ' ' ILE . 55.0 mtmt -59.52 -46.7 88.09 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.982 175.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.566 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 35.7 t70 -53.75 -49.58 67.88 Favored 'General case' 0 C--O 1.195 -1.814 0 O-C-N 124.267 0.979 . . . . 0.0 109.805 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -63.62 -48.99 75.05 Favored 'General case' 0 C--O 1.251 1.162 0 C-N-CA 124.969 1.308 . . . . 0.0 111.715 -175.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 71.2 m -58.27 -40.74 82.68 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.282 0.633 . . . . 0.0 111.057 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -82.98 -22.72 33.6 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.113 0.965 . . . . 0.0 111.485 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.566 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 0.6 OUTLIER -73.73 -25.13 60.05 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 124.633 1.173 . . . . 0.0 110.239 -178.036 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.132 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.546 -172.742 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.26 35.3 53.15 Favored Glycine 0 C--N 1.338 0.674 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.523 -176.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.8 p -95.17 89.34 5.49 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -96.96 176.2 6.05 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.338 0.655 . . . . 0.0 110.363 -174.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.7 m -85.75 157.51 20.25 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.58 0.752 . . . . 0.0 109.143 170.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.562 HD12 ' HG2' ' A' ' 74' ' ' LYS . 46.8 mm -61.22 -49.45 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 123.049 0.54 . . . . 0.0 110.593 -178.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.623 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 50.4 mt-10 -72.37 -24.16 61.23 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.95 -178.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -63.13 -51.6 65.83 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 170.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.3 t -55.58 -58.45 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.692 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.623 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.8 pt-20 -64.43 -44.04 92.41 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -173.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -77.59 -22.91 50.17 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.896 0.478 . . . . 0.0 112.069 -174.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -102.5 -7.78 21.61 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 118.849 -0.596 . . . . 0.0 111.519 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.3 mt -59.34 113.4 2.15 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 118.71 0.686 . . . . 0.0 111.254 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.52 -2.08 21.92 Favored Glycine 0 C--N 1.343 0.924 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.957 -178.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.8 p -102.17 -173.52 2.36 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 117.606 0.703 . . . . 0.0 110.547 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -79.77 -27.12 40.47 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.669 0.788 . . . . 0.0 110.246 171.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -74.29 -32.89 63.07 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.674 0.789 . . . . 0.0 111.509 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -151.41 83.71 5.37 Favored Pre-proline 0 N--CA 1.474 0.729 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 173.877 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.98 156.64 38.72 Favored 'Trans proline' 0 CA--C 1.547 1.159 0 C-N-CA 122.081 1.854 . . . . 0.0 111.59 172.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -56.19 -44.99 79.97 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.833 0.853 . . . . 0.0 111.465 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -61.0 -41.64 96.91 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.492 0.717 . . . . 0.0 111.689 -176.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -63.46 -40.65 97.7 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.559 0.744 . . . . 0.0 111.327 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.465 HD11 ' HB2' ' A' ' 73' ' ' TYR . 57.8 tp -60.48 -55.76 29.55 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.388 175.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.471 HG22 ' NE2' ' A' ' 40' ' ' GLN . 66.5 mt -51.91 -39.24 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 124.511 1.124 . . . . 0.0 111.243 177.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.5 m -63.07 -48.34 79.07 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.091 0.956 . . . . 0.0 111.313 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -56.83 -43.9 81.53 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 176.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.439 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 9.3 mp -64.67 -38.94 92.7 Favored 'General case' 0 C--O 1.212 -0.875 0 C-N-CA 123.18 0.592 . . . . 0.0 111.508 -176.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.471 ' NE2' HG22 ' A' ' 36' ' ' ILE . 1.1 pt20 -83.55 -19.09 36.26 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.885 -0.509 . . . . 0.0 112.133 -179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -81.12 -44.14 18.37 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 120.566 0.222 . . . . 0.0 110.8 174.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -91.11 -40.79 11.4 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.902 0.481 . . . . 0.0 111.884 -172.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 39' ' ' LEU . . . -86.48 156.8 19.97 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 121.02 0.438 . . . . 0.0 111.291 179.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -80.23 162.59 24.56 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.768 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.63 -37.94 43.3 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 124.255 1.022 . . . . 0.0 112.729 -174.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.2 -42.71 77.62 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.282 1.033 . . . . 0.0 112.439 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -64.33 -43.45 94.62 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.291 -176.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.461 HD21 ' HA ' ' A' ' 40' ' ' GLN . 1.5 mm? -69.43 -36.51 76.73 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.424 179.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -67.4 -28.14 67.67 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.472 0.309 . . . . 0.0 111.418 176.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -73.96 -56.26 5.16 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.547 0.739 . . . . 0.0 110.07 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -86.13 11.83 10.98 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.344 0.658 . . . . 0.0 112.428 -175.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.43 ' HA ' ' HE3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER 70.91 19.97 5.55 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 125.121 1.368 . . . . 0.0 111.97 171.343 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.4 mt -90.74 4.18 52.29 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.283 1.033 . . . . 0.0 111.743 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -72.46 -14.59 61.72 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -177.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -81.63 -171.04 45.05 Favored Glycine 0 C--N 1.347 1.19 0 N-CA-C 112.405 -0.278 . . . . 0.0 112.405 175.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.6 t -74.45 138.3 43.17 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 177.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.516 ' HA ' HD12 ' A' ' 60' ' ' ILE . 4.1 m-20 -57.18 -26.01 59.92 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.156 0.982 . . . . 0.0 112.935 -175.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -56.82 -55.0 40.01 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.91 0.884 . . . . 0.0 110.017 175.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.0 m -65.36 -39.18 92.01 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.409 -1.269 . . . . 0.0 111.237 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 57' ' ' ASN . 31.3 mt -66.69 -53.06 38.73 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 123.165 0.291 . . . . 0.0 111.111 -175.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 9.2 ptm180 -64.61 -40.39 95.41 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.3 0.24 . . . . 0.0 110.774 -178.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -74.12 -43.62 56.84 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 122.515 0.326 . . . . 0.0 111.088 -173.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -82.26 -53.74 5.81 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -176.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.441 HH11 ' HA ' ' A' ' 60' ' ' ILE . 2.9 mpt_? -80.59 126.85 31.77 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.881 -173.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -73.21 178.32 4.53 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.229 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.424 ' O ' HG13 ' A' ' 70' ' ' ILE . 26.6 p -60.93 -44.12 97.67 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 122.809 0.444 . . . . 0.0 112.002 -174.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.504 ' HA ' HD12 ' A' ' 70' ' ' ILE . 50.1 m -54.67 -37.62 65.96 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -173.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -58.97 -46.01 89.13 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.858 0.837 . . . . 0.0 110.519 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.453 ' HB3' HD23 ' A' ' 35' ' ' LEU . 41.2 mt -78.13 -33.43 50.45 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 114.186 -1.37 . . . . 0.0 111.064 -172.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 67' ' ' SER . 43.1 mt -63.21 -50.43 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 173.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.88 -38.6 76.05 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.159 0.984 . . . . 0.0 111.19 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.3 -48.52 67.4 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.051 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.465 ' HB2' HD11 ' A' ' 35' ' ' LEU . 85.5 t80 -63.25 -44.66 94.54 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 122.9 0.48 . . . . 0.0 110.826 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.562 ' HG2' HD12 ' A' ' 18' ' ' ILE . 53.8 mtmt -57.74 -54.01 51.72 Favored 'General case' 0 C--O 1.208 -1.12 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.544 177.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 30.8 t70 -54.29 -45.09 72.45 Favored 'General case' 0 C--O 1.205 -1.274 0 O-C-N 124.213 0.946 . . . . 0.0 111.373 -176.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.64 -51.33 70.37 Favored 'General case' 0 C--O 1.253 1.245 0 C-N-CA 124.337 1.055 . . . . 0.0 110.689 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 48.2 t -61.28 -44.02 97.91 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 114.136 -1.393 . . . . 0.0 110.94 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -75.06 -24.24 58.2 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 125.411 1.485 . . . . 0.0 110.869 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.436 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 60.0 t60 -75.78 -19.38 59.04 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.301 1.041 . . . . 0.0 108.971 176.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 1.31 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 171.2 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.8 ptt? . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 110.64 -0.133 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.24 23.03 46.08 Favored Glycine 0 C--N 1.346 1.116 0 N-CA-C 116.084 1.193 . . . . 0.0 116.084 164.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.2 m -88.23 90.96 8.6 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 177.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -102.41 173.04 6.53 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.777 0.831 . . . . 0.0 110.22 -176.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.2 m -86.72 164.92 16.46 Favored 'General case' 0 C--O 1.247 0.928 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 162.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.4 mm -59.47 -40.55 82.08 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 122.992 0.517 . . . . 0.0 110.557 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.524 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 46.4 mt-10 -61.11 -41.69 97.15 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.803 0.841 . . . . 0.0 112.777 -177.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -61.58 -41.44 97.4 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 118.407 0.549 . . . . 0.0 110.366 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.68 -60.95 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.993 177.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.524 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 10.7 pt-20 -65.93 -27.36 68.12 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -170.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -89.65 -38.02 14.21 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 122.329 0.252 . . . . 0.0 111.506 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -102.04 2.34 37.56 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.593 0.357 . . . . 0.0 111.784 -173.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.543 HD22 ' HG2' ' A' ' 32' ' ' LYS . 2.3 mt -65.03 120.53 12.8 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 120.805 0.336 . . . . 0.0 111.205 178.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.89 -21.12 16.49 Favored Glycine 0 C--N 1.339 0.719 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.849 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.0 p -89.86 -179.73 5.79 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.235 0.614 . . . . 0.0 109.816 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -80.14 -17.08 53.47 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.729 0.412 . . . . 0.0 110.408 173.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -71.3 -33.21 69.5 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.984 0.914 . . . . 0.0 110.47 177.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -151.32 85.99 4.86 Favored Pre-proline 0 N--CA 1.476 0.85 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 172.154 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.4 150.11 87.37 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 122.352 2.035 . . . . 0.0 112.071 173.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.543 ' HG2' HD22 ' A' ' 25' ' ' LEU . 55.8 mtmt -60.46 -37.84 82.3 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.294 172.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -65.99 -46.34 78.36 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.505 0.722 . . . . 0.0 109.871 -176.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.37 -40.29 93.76 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.422 1.089 . . . . 0.0 111.123 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.487 HD23 ' HB3' ' A' ' 69' ' ' LEU . 53.9 tp -62.46 -52.94 61.55 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.996 176.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.5 mt -55.11 -37.91 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 124.185 0.994 . . . . 0.0 111.294 176.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 86.9 m -66.57 -47.81 71.61 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.488 0.715 . . . . 0.0 110.303 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -56.98 -42.7 80.69 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.031 0.532 . . . . 0.0 110.299 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.56 -47.69 82.73 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.074 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.418 ' HA ' HD21 ' A' ' 48' ' ' LEU . 1.5 pt20 -74.03 -18.42 60.84 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -84.19 -40.45 18.13 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 175.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.401 HD22 ' N ' ' A' ' 42' ' ' ASN . 1.1 m-80 -96.23 -20.35 18.63 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -172.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.547 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . . . -90.07 170.47 10.3 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.779 0.8 . . . . 0.0 112.366 174.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -86.54 158.35 19.55 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 113.983 -1.462 . . . . 0.0 108.741 164.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.0 -28.85 64.79 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.532 0.733 . . . . 0.0 112.678 -169.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.53 -40.86 69.07 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.382 1.073 . . . . 0.0 112.25 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -63.38 -39.69 95.2 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.556 -176.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.452 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.3 mm? -79.21 -27.82 42.54 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.212 -177.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -76.37 -18.25 58.98 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.002 0.521 . . . . 0.0 110.738 173.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -78.51 -60.41 2.38 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 171.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -82.71 9.35 9.81 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.473 0.709 . . . . 0.0 112.433 -175.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? 65.34 21.56 11.97 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 124.326 1.05 . . . . 0.0 111.682 174.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.523 ' HA ' HD13 ' A' ' 60' ' ' ILE . 26.2 mt -86.01 5.96 30.99 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 123.881 0.872 . . . . 0.0 111.211 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.9 t -85.34 -6.46 59.23 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.185 0.594 . . . . 0.0 112.371 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.83 -152.36 7.44 Favored Glycine 0 C--N 1.354 1.545 0 N-CA-C 112.392 -0.283 . . . . 0.0 112.392 176.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.5 t -90.61 127.08 36.16 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 174.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.489 ' HA ' HD12 ' A' ' 60' ' ' ILE . 4.9 m-20 -54.03 -28.24 37.15 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 124.08 0.952 . . . . 0.0 113.344 -170.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -59.8 -55.36 35.23 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 123.564 0.746 . . . . 0.0 110.911 176.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 96.0 p -68.19 -43.51 77.96 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.055 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.523 HD13 ' HA ' ' A' ' 53' ' ' LEU . 69.7 mt -54.24 -52.07 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.827 0.851 . . . . 0.0 111.372 -177.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.1 ptt85 -70.96 -27.1 63.49 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.443 0.464 . . . . 0.0 110.728 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -72.05 -33.29 67.84 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 122.318 0.247 . . . . 0.0 111.365 178.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -86.33 -37.54 18.38 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.675 0.39 . . . . 0.0 110.611 179.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 87.6 mtt-85 -97.89 125.12 42.63 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.195 0.598 . . . . 0.0 110.755 -178.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -78.23 -178.01 5.44 Favored 'General case' 0 C--O 1.248 1.009 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.344 171.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.424 ' O ' HG13 ' A' ' 70' ' ' ILE . 62.2 m -56.89 -43.45 81.34 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.12 -176.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.8 m -54.45 -43.05 71.31 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 124.093 0.957 . . . . 0.0 113.536 -171.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -63.47 -39.45 94.49 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.545 0.738 . . . . 0.0 111.676 178.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.487 ' HB3' HD23 ' A' ' 35' ' ' LEU . 58.1 mt -81.77 -29.98 32.55 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.107 -173.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.437 HG22 ' HD2' ' A' ' 74' ' ' LYS . 77.3 mt -59.22 -57.27 12.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 167.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.9 -33.65 70.77 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.445 1.098 . . . . 0.0 111.685 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.82 -48.28 74.96 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.174 0.59 . . . . 0.0 111.016 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.465 ' HB2' HD11 ' A' ' 35' ' ' LEU . 71.9 t80 -68.02 -33.43 74.59 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 122.919 0.488 . . . . 0.0 111.358 -179.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HD2' HG22 ' A' ' 70' ' ' ILE . 59.4 mtpt -66.45 -55.89 13.56 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -55.87 -32.82 64.02 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.083 0.953 . . . . 0.0 111.251 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.547 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 5.8 t80 -66.16 -51.39 58.31 Favored 'General case' 0 C--O 1.253 1.288 0 C-N-CA 125.207 1.403 . . . . 0.0 111.309 178.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 44.2 t -66.42 -44.54 82.63 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.686 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -66.48 -29.04 69.07 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.017 0.927 . . . . 0.0 110.868 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -67.55 -35.26 78.71 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.878 0.871 . . . . 0.0 110.081 174.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.126 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.116 177.448 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.426 ' SD ' ' HD3' ' A' ' 41' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.238 0.457 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.73 42.7 97.05 Favored Glycine 0 CA--C 1.528 0.854 0 O-C-N 124.009 0.818 . . . . 0.0 114.725 173.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.2 t -79.1 93.65 5.2 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 172.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -103.45 -178.77 3.76 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.19 0.596 . . . . 0.0 110.271 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.4 m -104.65 164.56 11.68 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.644 0.778 . . . . 0.0 109.484 166.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.5 mm -55.54 -42.3 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 123.81 0.844 . . . . 0.0 111.092 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.604 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 40.1 mt-10 -70.86 -35.76 72.53 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.153 -175.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -62.56 -42.96 99.87 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-O 121.414 0.626 . . . . 0.0 109.529 173.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.3 t -60.92 -57.52 11.7 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.722 178.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.604 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.9 pt-20 -63.97 -39.1 93.37 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.247 0.619 . . . . 0.0 112.318 -172.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -78.52 -37.0 44.12 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.299 -175.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -100.69 -5.03 27.11 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -173.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.507 HD22 ' HG2' ' A' ' 32' ' ' LYS . 3.4 mt -63.24 117.49 6.65 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-N 118.779 0.718 . . . . 0.0 111.37 -179.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.15 -17.39 22.01 Favored Glycine 0 C--N 1.344 1.017 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.559 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.8 p -83.15 -176.44 6.33 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 122.89 0.476 . . . . 0.0 109.997 176.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -90.19 -4.34 57.3 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.611 0.364 . . . . 0.0 110.571 171.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -79.67 -41.99 25.71 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.398 0.679 . . . . 0.0 109.692 173.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.68 85.81 29.67 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 172.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -69.08 145.7 61.93 Favored 'Trans proline' 0 C--N 1.367 1.504 0 C-N-CA 121.776 1.651 . . . . 0.0 111.112 174.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.507 ' HG2' HD22 ' A' ' 25' ' ' LEU . 54.4 mtmt -58.16 -38.46 76.68 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.698 0.799 . . . . 0.0 111.086 -178.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -54.33 -48.42 71.41 Favored 'General case' 0 N--CA 1.478 0.925 0 O-C-N 123.857 0.723 . . . . 0.0 111.513 175.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -69.85 -29.82 67.15 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.385 0.674 . . . . 0.0 111.535 -172.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.481 HD12 ' HB3' ' A' ' 69' ' ' LEU . 2.4 tm? -62.96 -52.62 62.3 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 172.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.466 HG12 HD22 ' A' ' 53' ' ' LEU . 70.5 mt -56.43 -39.28 60.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 CA-C-N 114.677 -1.147 . . . . 0.0 111.131 176.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 76.1 m -64.76 -48.82 73.14 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.853 0.861 . . . . 0.0 109.99 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -53.85 -48.65 69.78 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.069 0.548 . . . . 0.0 110.444 177.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.72 -39.55 93.84 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.632 -174.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -77.35 -18.25 57.56 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.896 -0.502 . . . . 0.0 112.088 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HD3' ' SD ' ' A' ' 13' ' ' MET . 31.0 mtpp -84.59 -34.81 23.09 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.536 0.334 . . . . 0.0 111.872 173.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -99.25 -22.28 15.69 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -172.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.91 179.62 4.28 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.128 0.571 . . . . 0.0 111.43 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -100.33 161.51 13.55 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.195 0.998 . . . . 0.0 109.843 175.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.48 -37.05 36.53 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 124.327 1.051 . . . . 0.0 113.601 -172.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.13 -42.38 80.81 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.019 0.928 . . . . 0.0 112.137 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -63.98 -39.42 94.08 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.487 -176.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.444 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.7 mm? -76.21 -34.23 59.26 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.711 -178.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -70.89 -22.27 62.29 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 116.82 -0.173 . . . . 0.0 111.069 175.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -73.82 -57.95 3.63 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.681 0.792 . . . . 0.0 109.978 173.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -85.72 9.77 15.43 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -173.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.493 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 11.2 mmpt? 70.05 19.99 6.63 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 124.739 1.215 . . . . 0.0 111.87 174.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.524 ' HA ' HD13 ' A' ' 60' ' ' ILE . 22.2 mt -90.3 4.08 51.78 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 124.461 1.104 . . . . 0.0 111.862 -178.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.3 t -78.37 -20.14 51.88 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -177.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -83.37 -154.04 16.18 Favored Glycine 0 C--N 1.35 1.356 0 O-C-N 123.164 0.29 . . . . 0.0 113.698 -173.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.416 ' O ' HG13 ' A' ' 60' ' ' ILE . 2.6 t -78.28 123.28 26.78 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 171.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.547 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.8 m-20 -54.31 -26.79 31.43 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.091 0.956 . . . . 0.0 112.911 -175.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -55.76 -56.61 18.47 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.436 0.695 . . . . 0.0 110.83 172.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.1 m -72.24 -29.17 63.67 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.332 -177.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 57' ' ' ASN . 62.7 mt -66.81 -51.11 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 123.141 0.276 . . . . 0.0 110.56 -178.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 12.5 ptt180 -73.39 -25.57 60.62 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 117.786 0.266 . . . . 0.0 111.426 178.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -67.93 -45.57 73.94 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.768 0.427 . . . . 0.0 111.1 174.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.15 -40.43 23.99 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.449 0.699 . . . . 0.0 110.883 -176.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -105.27 116.54 32.12 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.014 -175.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -77.56 -174.16 3.27 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.184 0.593 . . . . 0.0 110.668 177.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.427 ' O ' HG13 ' A' ' 70' ' ' ILE . 22.5 p -49.71 -49.23 48.64 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.168 0.987 . . . . 0.0 111.946 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.1 m -53.72 -41.63 67.21 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.9 1.28 . . . . 0.0 113.114 -172.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -62.01 -46.91 87.12 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 123.66 0.6 . . . . 0.0 110.404 177.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.481 ' HB3' HD12 ' A' ' 35' ' ' LEU . 57.0 mt -76.37 -25.83 55.03 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.524 -173.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 66' ' ' CYS . 73.0 mt -66.76 -52.89 40.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 171.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.62 -29.92 69.54 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.862 0.865 . . . . 0.0 111.962 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.42 -51.12 31.77 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.315 0.646 . . . . 0.0 110.961 177.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -65.44 -37.14 86.0 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.459 0.703 . . . . 0.0 110.369 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.457 ' O ' ' HG2' ' A' ' 78' ' ' GLU . 57.2 mtpt -60.95 -59.73 4.91 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.797 0.839 . . . . 0.0 109.488 176.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -56.28 -33.93 65.98 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 123.955 0.785 . . . . 0.0 111.287 -176.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -64.83 -56.5 13.07 Favored 'General case' 0 C--O 1.252 1.187 0 C-N-CA 123.86 0.864 . . . . 0.0 110.768 177.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 74.4 m -62.67 -34.71 77.67 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.023 -178.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 16.0 mm-40 -81.64 -30.11 32.92 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.713 0.805 . . . . 0.0 110.773 -178.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -71.2 -22.15 62.05 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.018 0.527 . . . . 0.0 110.117 175.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.189 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.24 178.227 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.38 46.65 68.67 Favored Glycine 0 CA--C 1.526 0.743 0 O-C-N 123.332 0.395 . . . . 0.0 113.912 175.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.5 p -84.28 88.73 7.25 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 174.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 -90.54 171.73 9.2 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.355 0.662 . . . . 0.0 111.8 -171.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.2 m -78.05 158.47 29.18 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.578 166.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.453 HD11 ' SG ' ' A' ' 77' ' ' CYS . 49.6 mm -60.15 -42.48 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 174.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.628 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 43.8 mt-10 -70.75 -31.61 68.49 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.148 -178.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -63.81 -44.74 92.37 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.3 t -59.75 -62.09 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.539 177.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.628 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.5 pt-20 -59.76 -40.15 87.19 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -171.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -76.34 -45.3 32.76 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.584 -175.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -90.8 -2.05 57.81 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 118.913 -0.565 . . . . 0.0 111.845 -173.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.92 112.85 2.22 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 118.345 0.52 . . . . 0.0 111.064 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.84 -9.56 23.4 Favored Glycine 0 C--N 1.345 1.047 0 CA-C-N 115.744 -0.662 . . . . 0.0 113.543 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.1 p -91.08 -174.64 4.05 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 117.67 0.735 . . . . 0.0 111.268 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -74.57 -25.64 59.42 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.544 0.738 . . . . 0.0 110.938 170.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -77.08 -39.41 49.81 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.727 0.811 . . . . 0.0 111.378 -177.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.448 HD11 HD23 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -141.46 80.2 16.56 Favored Pre-proline 0 CA--C 1.545 0.781 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 177.411 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -59.78 153.61 55.25 Favored 'Trans proline' 0 C--N 1.372 1.801 0 C-N-CA 121.928 1.752 . . . . 0.0 112.091 170.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -59.13 -41.1 87.45 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.961 173.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.465 ' HB2' ' HD2' ' A' ' 61' ' ' ARG . 3.7 t30 -66.06 -41.52 90.66 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 115.08 -0.963 . . . . 0.0 110.413 -176.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.2 -39.12 91.68 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.714 1.206 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.548 HD12 ' HB3' ' A' ' 69' ' ' LEU . 2.7 tm? -64.61 -49.87 69.39 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.8 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.8 mt -58.99 -41.95 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 C-N-CA 124.109 0.964 . . . . 0.0 111.163 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.3 m -59.75 -49.04 79.27 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.729 178.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -54.67 -49.74 69.9 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.863 0.465 . . . . 0.0 110.755 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 83.7 mt -57.73 -42.87 84.74 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.012 -175.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -79.92 -21.92 43.35 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -75.1 -34.26 61.7 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.698 0.399 . . . . 0.0 111.681 176.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -95.69 -33.24 12.39 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.43 155.64 19.57 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -83.6 161.49 21.12 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.012 168.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.73 -32.86 14.55 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.309 1.044 . . . . 0.0 113.785 -168.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.74 -43.25 65.6 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 124.372 1.069 . . . . 0.0 112.184 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -67.31 -40.4 85.99 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.507 -176.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.404 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.3 mm? -75.64 -28.41 58.78 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.689 -178.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -77.54 -19.99 54.89 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.153 0.581 . . . . 0.0 110.511 175.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -75.45 -56.09 5.04 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.878 0.471 . . . . 0.0 110.702 171.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -85.42 4.56 34.94 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -175.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? 67.04 21.42 10.23 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 124.702 1.201 . . . . 0.0 111.152 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.495 ' HA ' HD13 ' A' ' 60' ' ' ILE . 19.9 mt -83.17 1.65 39.5 Favored 'General case' 0 CA--C 1.559 1.315 0 C-N-CA 124.032 0.933 . . . . 0.0 110.652 177.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -71.1 -22.08 62.14 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.182 0.993 . . . . 0.0 112.699 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -77.54 -168.04 30.15 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-O 120.316 -0.158 . . . . 0.0 113.042 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 t -70.9 130.04 40.6 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 117.099 0.449 . . . . 0.0 110.37 174.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.634 ' HA ' HD12 ' A' ' 60' ' ' ILE . 7.3 m-20 -55.38 -25.89 38.08 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 124.323 1.049 . . . . 0.0 113.748 -173.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -63.84 -50.91 67.02 Favored 'General case' 0 C--O 1.254 1.313 0 C-N-CA 123.465 0.706 . . . . 0.0 111.124 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 m -66.75 -34.76 78.56 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.948 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.634 HD12 ' HA ' ' A' ' 57' ' ' ASN . 52.1 mt -65.94 -55.16 20.58 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.973 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.817 -178.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.465 ' HD2' ' HB2' ' A' ' 33' ' ' ASN . 2.5 ptm180 -60.92 -30.34 70.14 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 122.755 0.422 . . . . 0.0 111.342 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -70.11 -48.68 56.56 Favored 'General case' 0 CA--C 1.556 1.191 0 O-C-N 123.221 0.325 . . . . 0.0 110.785 178.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.448 HD22 ' N ' ' A' ' 63' ' ' ASN . 0.8 OUTLIER -82.67 -46.65 12.96 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.033 0.533 . . . . 0.0 110.932 -172.555 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.42 ' HD2' ' N ' ' A' ' 64' ' ' ARG . 4.2 mpt_? -79.29 123.81 27.8 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.215 1.006 . . . . 0.0 109.001 177.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -88.49 -176.03 5.17 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.257 178.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.47 ' O ' HG13 ' A' ' 70' ' ' ILE . 24.3 p -54.29 -49.59 69.28 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.6 0.76 . . . . 0.0 111.444 -178.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.9 m -57.62 -39.77 77.65 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.78 0.832 . . . . 0.0 113.224 -172.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.418 HE21 ' HA ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -61.99 -41.24 97.82 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.122 0.487 . . . . 0.0 111.599 176.35 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.548 ' HB3' HD12 ' A' ' 35' ' ' LEU . 65.2 mt -77.12 -31.35 55.69 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.785 -175.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.511 HG22 ' HE2' ' A' ' 74' ' ' LYS . 25.3 mt -68.44 -44.25 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 173.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.32 -38.37 86.61 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.89 178.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.31 -43.26 70.7 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.604 0.762 . . . . 0.0 111.889 178.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -67.0 -42.33 85.17 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 120.929 0.395 . . . . 0.0 110.309 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.511 ' HE2' HG22 ' A' ' 70' ' ' ILE . 57.7 mtmt -60.8 -52.03 66.79 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.634 173.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -56.17 -31.79 63.73 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.6 0.76 . . . . 0.0 111.166 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -75.44 -48.57 22.16 Favored 'General case' 0 C--O 1.254 1.293 0 C-N-CA 123.906 0.883 . . . . 0.0 112.316 -177.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.453 ' SG ' HD11 ' A' ' 18' ' ' ILE . 30.8 p -68.68 -37.43 79.58 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 121.118 0.485 . . . . 0.0 110.528 178.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -72.46 -25.02 61.29 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.541 1.137 . . . . 0.0 110.925 175.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -65.52 -39.02 91.33 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.19 0.596 . . . . 0.0 109.542 172.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.999 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.506 177.173 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.241 0.651 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.15 45.94 37.75 Favored Glycine 0 C--N 1.335 0.496 0 CA-C-N 116.094 -0.503 . . . . 0.0 113.961 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 80.1 m -87.83 97.98 11.22 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 168.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 -102.21 172.81 6.68 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.626 0.77 . . . . 0.0 110.82 -173.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.4 m -84.74 160.84 20.2 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.1 0.56 . . . . 0.0 109.718 167.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.529 HD12 ' HG2' ' A' ' 74' ' ' LYS . 47.9 mm -60.77 -48.36 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 123.505 0.722 . . . . 0.0 110.398 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.564 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 49.0 mt-10 -70.9 -23.73 62.34 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.831 -178.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -67.67 -46.88 71.07 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 172.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.9 t -54.8 -63.04 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 123.449 0.7 . . . . 0.0 110.377 177.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.564 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 11.9 pt-20 -64.04 -44.24 93.13 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -171.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -79.8 -24.05 41.69 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -172.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -104.09 -3.33 24.65 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-O 118.726 -0.654 . . . . 0.0 111.768 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.459 HD22 ' HG2' ' A' ' 32' ' ' LYS . 6.8 mt -58.95 118.12 5.43 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 119.061 0.846 . . . . 0.0 111.533 178.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.57 -14.85 20.08 Favored Glycine 0 C--N 1.344 1.004 0 O-C-N 123.759 0.662 . . . . 0.0 112.823 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.8 p -91.13 -175.07 4.18 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.862 0.465 . . . . 0.0 111.053 -176.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -84.19 -21.85 31.14 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.796 0.438 . . . . 0.0 110.082 171.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -70.46 -37.58 74.33 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.861 0.865 . . . . 0.0 110.513 176.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.5 83.51 10.72 Favored Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 175.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -69.01 139.09 41.88 Favored 'Trans proline' 0 C--N 1.369 1.632 0 C-N-CA 122.233 1.956 . . . . 0.0 110.772 173.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.459 ' HG2' HD22 ' A' ' 25' ' ' LEU . 56.0 mtmt -56.28 -42.65 77.83 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.048 0.939 . . . . 0.0 111.596 -177.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -51.66 -46.8 63.89 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.799 0.84 . . . . 0.0 110.992 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -72.18 -30.94 65.46 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.75 0.82 . . . . 0.0 111.588 -171.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.6 -51.53 66.94 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 173.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.5 mt -59.73 -37.71 72.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.583 178.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 89.4 m -60.86 -53.56 55.8 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.199 1.0 . . . . 0.0 110.545 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -54.66 -46.67 74.06 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.57 0.748 . . . . 0.0 110.137 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.5 mp -58.84 -46.32 87.98 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.64 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.47 ' HA ' HD21 ' A' ' 48' ' ' LEU . 1.6 pt20 -78.43 -20.26 51.46 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 118.162 0.437 . . . . 0.0 112.161 -177.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -74.62 -40.35 61.59 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-O 120.733 0.302 . . . . 0.0 111.042 175.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -92.37 -32.87 14.8 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -175.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.93 162.69 14.65 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -176.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.35 157.86 28.98 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 114.141 -1.39 . . . . 0.0 109.725 176.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.13 -34.05 59.35 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.496 0.718 . . . . 0.0 111.595 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.4 -40.73 78.88 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.217 1.007 . . . . 0.0 112.206 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -68.19 -41.41 81.45 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.684 0.794 . . . . 0.0 110.72 -176.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.481 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.7 mm? -72.91 -29.34 63.06 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.597 178.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -78.92 -17.88 54.76 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 122.221 -0.299 . . . . 0.0 111.204 174.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -77.79 -48.42 16.6 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.379 0.671 . . . . 0.0 110.661 173.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 92.8 m95 -95.35 4.99 52.84 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.473 0.709 . . . . 0.0 111.946 -177.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm 68.28 24.1 7.54 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 125.263 1.425 . . . . 0.0 112.191 172.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.481 ' HB2' HD12 ' A' ' 48' ' ' LEU . 19.6 mt -88.31 17.7 5.01 Favored 'General case' 0 CA--C 1.561 1.404 0 C-N-CA 124.783 1.233 . . . . 0.0 110.948 176.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -81.88 -7.81 59.63 Favored 'General case' 0 CA--C 1.561 1.372 0 C-N-CA 124.091 0.956 . . . . 0.0 112.8 -175.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -87.41 -160.56 35.51 Favored Glycine 0 N--CA 1.482 1.723 0 CA-C-O 120.059 -0.3 . . . . 0.0 112.567 177.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.8 t -82.42 135.76 35.08 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 172.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -58.91 -25.26 63.25 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.216 1.006 . . . . 0.0 113.074 -173.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -58.4 -54.33 48.23 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 123.569 0.543 . . . . 0.0 109.874 172.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.0 m -68.2 -29.63 68.52 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.543 178.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' A' ' 64' ' ' ARG . 60.8 mt -74.25 -44.41 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 117.878 0.308 . . . . 0.0 110.934 -176.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -69.32 -24.91 63.99 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.067 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -76.94 -47.49 20.82 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.98 0.912 . . . . 0.0 111.92 177.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -92.86 -40.62 10.52 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.47 0.708 . . . . 0.0 111.483 -169.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.418 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 4.4 mpt_? -85.38 156.07 21.03 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -96.84 169.81 9.6 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 123.64 0.776 . . . . 0.0 109.817 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.472 ' O ' HG13 ' A' ' 70' ' ' ILE . 27.8 p -58.85 -36.42 74.55 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 123.67 0.606 . . . . 0.0 110.863 177.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.5 m -51.72 -42.7 62.46 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 124.359 1.064 . . . . 0.0 112.969 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -60.9 -43.43 98.54 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.041 0.536 . . . . 0.0 110.875 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.5 mp -69.98 -42.01 73.67 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.504 -176.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.493 HG22 ' HE2' ' A' ' 74' ' ' LYS . 20.6 mt -64.7 -50.23 76.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.53 -40.38 91.29 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.512 1.125 . . . . 0.0 111.715 -177.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.25 -44.38 75.75 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.399 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -63.16 -43.21 98.93 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 122.997 0.519 . . . . 0.0 110.572 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.529 ' HG2' HD12 ' A' ' 18' ' ' ILE . 57.3 mtmt -60.92 -57.9 10.69 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.922 177.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.446 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 26.3 t70 -54.67 -35.23 63.32 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 124.278 0.986 . . . . 0.0 111.176 -177.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -69.93 -48.98 56.35 Favored 'General case' 0 C--O 1.254 1.299 0 C-N-CA 124.018 0.927 . . . . 0.0 111.94 -177.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 42.3 t -65.81 -33.66 76.36 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.835 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -81.28 -21.49 39.31 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.001 177.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 0.1 OUTLIER -69.89 -34.91 74.15 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.482 0.713 . . . . 0.0 109.479 176.076 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 1.387 0 C-N-CA 120.755 -0.735 . . . . 0.0 111.484 176.262 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptm . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 120.824 0.345 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -153.86 94.8 1.8 Allowed 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 173.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -63.91 -12.08 33.72 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -167.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 61.0 p -74.46 1.88 10.84 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 123.511 0.725 . . . . 0.0 112.121 173.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -72.08 -16.53 62.02 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.356 0.662 . . . . 0.0 110.895 174.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -60.12 -17.03 37.23 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.571 0.748 . . . . 0.0 111.686 -176.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.84 -28.32 2.96 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.677 0.791 . . . . 0.0 110.11 172.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.43 ' NZ ' ' HA3' ' A' ' 88' ' ' GLY . 13.3 mptt -101.15 25.66 7.92 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.889 -0.507 . . . . 0.0 112.237 -176.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.452 ' HG2' ' HD3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -72.86 158.06 36.26 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 121.097 0.475 . . . . 0.0 111.065 176.492 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -94.33 156.38 16.53 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.739 0.816 . . . . 0.0 109.605 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.57 24.72 15.16 Favored Glycine 0 C--N 1.339 0.742 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.452 ' HD3' ' HG2' ' A' ' 9' ' ' GLU . 12.9 mmmm -77.84 85.16 4.12 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 175.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.13 162.86 26.33 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 114.041 -1.436 . . . . 0.0 110.111 -176.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.433 ' HA2' ' CE2' ' A' ' 16' ' ' TRP . . . 81.73 10.86 83.68 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 115.189 0.836 . . . . 0.0 115.189 170.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -85.1 73.5 10.64 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 175.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.433 ' CE2' ' HA2' ' A' ' 14' ' ' GLY . 4.3 m-90 -84.57 168.04 15.74 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 124.256 1.023 . . . . 0.0 110.79 -176.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.5 m -72.98 154.95 40.31 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.621 168.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.56 HD12 ' HG2' ' A' ' 74' ' ' LYS . 51.3 mm -62.1 -46.17 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 122.618 0.367 . . . . 0.0 110.411 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.561 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 48.5 mt-10 -69.49 -28.58 66.19 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.811 -179.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -62.92 -47.0 85.14 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 172.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.406 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 41.8 t -57.28 -64.53 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.256 177.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.561 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 11.1 pt-20 -64.23 -41.86 96.82 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -168.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -77.68 -37.14 50.33 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.383 0.427 . . . . 0.0 110.715 -174.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -96.13 -1.87 47.63 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 118.399 -0.81 . . . . 0.0 111.921 -176.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 21' ' ' VAL . 8.0 mt -58.12 111.79 1.31 Allowed 'General case' 0 N--CA 1.486 1.339 0 CA-C-N 118.828 0.74 . . . . 0.0 110.552 176.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.78 2.78 39.96 Favored Glycine 0 CA--C 1.533 1.185 0 CA-C-N 115.077 -0.965 . . . . 0.0 114.238 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.3 p -93.49 -178.28 4.67 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 117.95 0.875 . . . . 0.0 110.535 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -77.31 -20.71 54.56 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.933 0.493 . . . . 0.0 110.608 171.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -79.47 -46.0 18.3 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.065 0.946 . . . . 0.0 110.697 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -135.13 81.19 45.39 Favored Pre-proline 0 CA--C 1.546 0.82 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 175.822 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.29 146.9 87.18 Favored 'Trans proline' 0 C--N 1.364 1.343 0 C-N-CA 121.971 1.781 . . . . 0.0 111.319 172.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -56.65 -38.52 72.29 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.212 1.005 . . . . 0.0 111.571 -177.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -58.12 -41.42 83.57 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 123.887 0.742 . . . . 0.0 111.618 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.95 -29.76 65.86 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.572 0.749 . . . . 0.0 112.308 -176.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -66.49 -49.93 64.96 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 173.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.0 mt -57.24 -39.78 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.691 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.9 m -64.84 -50.94 64.67 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 123.973 0.909 . . . . 0.0 110.595 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -54.56 -46.72 73.74 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.326 0.65 . . . . 0.0 110.243 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mp -61.64 -46.2 90.79 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.558 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.426 ' HA ' HD21 ' A' ' 48' ' ' LEU . 1.6 pt20 -77.21 -17.71 58.29 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.791 -0.568 . . . . 0.0 112.394 -178.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -77.31 -55.25 5.56 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.711 0.291 . . . . 0.0 110.319 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -80.53 -46.45 15.78 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.245 0.618 . . . . 0.0 112.234 -170.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.35 162.46 27.86 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -173.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.43 158.07 35.68 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 114.7 -1.136 . . . . 0.0 109.841 173.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.36 -31.13 67.33 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.417 0.687 . . . . 0.0 112.008 -176.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.56 -41.55 81.26 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.126 0.97 . . . . 0.0 112.087 177.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -64.39 -45.44 87.65 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.785 0.834 . . . . 0.0 110.487 -175.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.525 HD12 ' HB2' ' A' ' 53' ' ' LEU . 2.2 mm? -71.23 -33.16 69.62 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.833 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -68.75 -26.31 65.17 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 122.429 -0.169 . . . . 0.0 111.002 173.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -75.87 -38.17 58.18 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.098 0.559 . . . . 0.0 111.162 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -100.1 6.41 44.93 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.747 ' HB2' ' HD2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER 63.9 24.44 13.69 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 124.668 1.187 . . . . 0.0 111.508 178.263 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.525 ' HB2' HD12 ' A' ' 48' ' ' LEU . 13.8 mt -92.44 11.53 25.87 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 123.89 0.876 . . . . 0.0 110.496 176.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.3 t -80.03 -8.99 59.66 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 124.215 1.006 . . . . 0.0 113.176 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -89.97 -143.06 9.99 Favored Glycine 0 N--CA 1.479 1.516 0 CA-C-N 117.757 0.253 . . . . 0.0 113.716 -176.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.1 t -93.87 130.75 39.8 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.7 0.8 . . . . 0.0 109.338 174.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.448 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.5 m-20 -53.55 -25.07 15.47 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 124.124 0.969 . . . . 0.0 113.504 -172.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -63.89 -57.36 10.04 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 123.388 0.43 . . . . 0.0 109.958 175.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.1 t -67.89 -26.65 66.11 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.549 0.34 . . . . 0.0 110.726 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 57' ' ' ASN . 87.0 mt -68.21 -48.47 73.54 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 C-N-CA 122.627 0.371 . . . . 0.0 110.462 178.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 16.2 ptm180 -73.1 -19.19 61.2 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 118.835 0.743 . . . . 0.0 111.569 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -82.4 -37.75 25.08 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.126 0.57 . . . . 0.0 112.35 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -101.6 -29.87 11.7 Favored 'General case' 0 N--CA 1.498 1.938 0 C-N-CA 123.034 0.534 . . . . 0.0 112.164 -173.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.747 ' HD2' ' HB2' ' A' ' 52' ' ' LYS . 3.9 mmp_? -100.42 109.9 22.07 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.736 0.815 . . . . 0.0 108.93 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -78.29 179.93 6.64 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.179 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.467 ' O ' HG13 ' A' ' 70' ' ' ILE . 17.0 p -54.8 -41.9 71.16 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.218 -177.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.3 m -47.59 -44.7 26.67 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.724 1.21 . . . . 0.0 112.672 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -64.28 -45.47 87.89 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.952 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.0 mp -71.02 -36.13 72.28 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 114.803 -1.09 . . . . 0.0 112.003 -176.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.58 HG22 ' HE2' ' A' ' 74' ' ' LYS . 41.9 mt -70.57 -53.28 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 -178.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.24 -41.29 92.86 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.865 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.13 -54.77 42.95 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.14 0.576 . . . . 0.0 112.201 173.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -62.52 -41.0 98.56 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.966 0.507 . . . . 0.0 110.964 -175.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.58 ' HE2' HG22 ' A' ' 70' ' ' ILE . 55.1 mtmt -61.75 -58.01 9.68 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.806 178.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -60.3 -25.07 65.46 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.509 0.723 . . . . 0.0 112.268 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -69.0 -55.42 10.91 Favored 'General case' 0 C--O 1.26 1.646 0 C-N-CA 123.643 0.777 . . . . 0.0 110.683 176.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 64.3 m -64.53 -38.0 89.51 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.933 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -73.75 -26.36 60.63 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.577 1.151 . . . . 0.0 111.41 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -65.35 -35.17 80.16 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 122.978 0.511 . . . . 0.0 109.96 172.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.96 43.49 5.67 Favored Glycine 0 C--N 1.346 1.114 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.5 t -43.13 149.88 0.2 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.345 1.858 . . . . 0.0 115.377 -169.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.65 ' HA ' ' HG2' ' A' ' 87' ' ' GLN . 50.2 mtpt -98.86 29.7 3.68 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.975 -178.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.6 m -85.49 24.34 1.2 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.442 1.097 . . . . 0.0 111.717 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.84 32.52 63.73 Favored Glycine 0 C--N 1.348 1.24 0 O-C-N 123.212 0.32 . . . . 0.0 113.524 -178.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 79.5 mt -108.26 81.65 1.51 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 61.09 43.07 11.63 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.785 1.234 . . . . 0.0 109.85 -175.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.65 ' HG2' ' HA ' ' A' ' 82' ' ' LYS . 6.4 tp-100 -148.42 151.32 35.04 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.709 -1.132 . . . . 0.0 109.519 -174.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.43 ' HA3' ' NZ ' ' A' ' 8' ' ' LYS . . . . . . . . 0 C--N 1.347 1.164 0 CA-C-O 118.585 -1.119 . . . . 0.0 113.247 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 N--CA 1.485 1.313 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -108.61 87.75 2.57 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 123.865 0.866 . . . . 0.0 109.203 172.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.04 -29.58 70.93 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.063 0.945 . . . . 0.0 111.172 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.7 t -64.27 -53.67 45.32 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.408 0.683 . . . . 0.0 110.328 175.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.79 -8.72 30.54 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.267 1.027 . . . . 0.0 113.016 -174.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -71.23 -55.48 8.0 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-O 121.185 0.517 . . . . 0.0 109.996 173.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -83.08 -23.41 33.12 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.007 0.923 . . . . 0.0 110.791 -178.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -102.09 43.37 1.07 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.83 1.252 . . . . 0.0 108.466 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -65.77 118.82 10.18 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.602 -175.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -78.14 155.26 30.57 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 114.672 -1.149 . . . . 0.0 109.574 -177.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.22 40.76 3.41 Favored Glycine 0 C--N 1.34 0.779 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 -170.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' HG3' ' SG ' ' A' ' 15' ' ' CYS . 8.6 ptpp? -65.13 86.12 0.06 Allowed 'General case' 0 CA--C 1.549 0.925 0 CA-C-O 122.545 1.164 . . . . 0.0 109.525 178.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.1 ptm -73.31 119.51 17.64 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 114.148 -1.387 . . . . 0.0 111.035 -172.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.62 28.49 63.19 Favored Glycine 0 C--N 1.341 0.848 0 O-C-N 123.716 0.635 . . . . 0.0 114.518 172.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.46 ' SG ' ' HG3' ' A' ' 12' ' ' LYS . 26.4 p -83.72 91.4 7.49 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 171.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 -93.41 171.33 8.98 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.536 0.734 . . . . 0.0 109.965 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 m -84.61 159.15 20.68 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 165.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 74' ' ' LYS . 49.9 mm -58.75 -43.22 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 123.154 0.582 . . . . 0.0 110.947 -176.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.597 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 40.8 mt-10 -72.52 -30.84 64.83 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.459 -177.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -62.39 -45.26 93.93 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 172.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.45 -58.87 4.32 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.528 178.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.597 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.8 pt-20 -65.67 -41.42 92.5 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -171.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -73.94 -33.08 63.79 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.842 0.457 . . . . 0.0 111.349 -175.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -99.54 -6.91 26.65 Favored 'General case' 0 CA--C 1.553 1.083 0 CA-C-O 119.019 -0.515 . . . . 0.0 112.033 -176.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.408 HD22 ' HG2' ' A' ' 32' ' ' LYS . 4.2 mt -58.88 119.17 6.71 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 118.59 0.632 . . . . 0.0 112.233 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.01 8.34 54.1 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-N 115.51 -0.768 . . . . 0.0 113.436 176.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.3 p -104.84 -178.25 3.6 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.834 0.454 . . . . 0.0 110.005 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -85.76 -0.15 54.47 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 122.837 0.455 . . . . 0.0 111.115 174.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -85.65 -56.63 3.41 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 170.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -127.28 89.85 50.48 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -70.38 148.78 61.79 Favored 'Trans proline' 0 C--N 1.37 1.671 0 C-N-CA 121.707 1.605 . . . . 0.0 110.724 172.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.521 ' HD3' ' SG ' ' A' ' 66' ' ' CYS . 38.2 mtmm -54.63 -37.74 66.0 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.963 0.905 . . . . 0.0 111.045 176.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -56.78 -45.01 82.41 Favored 'General case' 0 CA--C 1.549 0.917 0 O-C-N 124.116 0.885 . . . . 0.0 111.059 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.92 -34.18 74.95 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.417 1.087 . . . . 0.0 111.819 -175.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.473 HD13 HD13 ' A' ' 39' ' ' LEU . 2.9 tm? -62.66 -54.6 37.02 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 175.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.484 HG23 ' HB3' ' A' ' 53' ' ' LEU . 56.9 mt -55.78 -41.4 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.893 178.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.7 m -57.76 -49.67 75.79 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.511 1.124 . . . . 0.0 110.914 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.481 ' HD2' HD12 ' A' ' 39' ' ' LEU . 76.2 t80 -58.33 -48.53 80.24 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 123.59 0.556 . . . . 0.0 110.394 -177.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.481 HD12 ' HD2' ' A' ' 38' ' ' TYR . 10.8 mp -65.86 -38.67 89.44 Favored 'General case' 0 C--O 1.212 -0.903 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.176 -176.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.45 ' NE2' HG22 ' A' ' 36' ' ' ILE . 1.6 pt20 -76.99 -19.56 57.15 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 118.691 0.678 . . . . 0.0 111.652 179.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -78.77 -43.32 25.8 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.826 0.45 . . . . 0.0 111.452 172.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -89.58 -42.95 11.11 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -172.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.426 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . . . -84.03 169.89 14.48 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.202 0.601 . . . . 0.0 111.974 -179.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -90.87 159.15 16.39 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.138 0.975 . . . . 0.0 110.185 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.89 -35.14 57.54 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.248 1.019 . . . . 0.0 112.953 -169.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.93 -40.16 79.77 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.02 0.928 . . . . 0.0 112.458 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -65.61 -40.44 92.63 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.729 0.812 . . . . 0.0 110.241 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.469 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.4 mm? -74.63 -28.85 61.05 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.673 178.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -75.02 -18.73 60.3 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.884 0.474 . . . . 0.0 110.703 173.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -80.61 -43.29 20.78 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.227 0.611 . . . . 0.0 111.153 173.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -100.27 6.53 44.67 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -176.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.544 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 10.5 mmpt? 67.53 24.54 8.64 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 124.464 1.106 . . . . 0.0 112.421 176.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.609 ' HA ' HD13 ' A' ' 60' ' ' ILE . 31.1 mt -90.74 7.85 37.55 Favored 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 123.895 0.878 . . . . 0.0 111.172 177.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.5 t -85.2 -5.67 59.32 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.492 0.717 . . . . 0.0 112.467 -174.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -91.75 -158.05 34.21 Favored Glycine 0 N--CA 1.474 1.176 0 N-CA-C 112.588 -0.205 . . . . 0.0 112.588 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.2 t -76.78 127.81 33.44 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 170.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.598 ' HA ' HD12 ' A' ' 60' ' ' ILE . 2.6 m-20 -56.64 -27.1 57.79 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.177 0.991 . . . . 0.0 112.36 -171.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.563 ' HA ' ' HE ' ' A' ' 61' ' ' ARG . 31.4 ttpt -58.04 -56.15 25.68 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.028 0.931 . . . . 0.0 111.011 174.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.7 m -72.76 -27.5 62.05 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.972 -174.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.609 HD13 ' HA ' ' A' ' 53' ' ' LEU . 51.7 mt -68.11 -48.37 74.49 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.993 0 C-N-CA 122.862 0.465 . . . . 0.0 110.008 176.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.563 ' HE ' ' HA ' ' A' ' 58' ' ' LYS . 12.7 ptt180 -76.12 -16.6 59.86 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 111.782 0.289 . . . . 0.0 111.782 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -86.99 -37.02 17.91 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 122.747 0.419 . . . . 0.0 111.583 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -93.7 -45.29 7.76 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.013 0.525 . . . . 0.0 111.281 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.8 mmp_? -87.47 147.78 25.24 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -89.37 171.36 9.8 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.276 0.63 . . . . 0.0 111.191 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.521 ' SG ' ' HD3' ' A' ' 32' ' ' LYS . 76.0 m -57.23 -33.46 67.57 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.688 173.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.2 m -51.96 -45.25 64.32 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.701 1.2 . . . . 0.0 112.482 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -62.24 -42.31 99.2 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 123.562 0.539 . . . . 0.0 110.843 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.5 mp -70.26 -34.42 72.8 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 124.579 1.174 . . . . 0.0 111.988 -176.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.466 ' O ' ' HB2' ' A' ' 74' ' ' LYS . 38.0 mt -67.33 -51.89 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 176.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.68 -33.34 74.88 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 124.382 1.051 . . . . 0.0 111.814 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.3 -54.7 21.65 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.476 0.711 . . . . 0.0 111.193 177.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -63.25 -34.92 78.71 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.147 0.579 . . . . 0.0 110.235 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 22.7 ttmt -65.08 -58.58 5.68 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.02 -0.991 . . . . 0.0 108.885 -176.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 17.8 t70 -57.88 -31.65 66.92 Favored 'General case' 0 C--O 1.209 -1.076 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.924 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 19.5 t80 -63.65 -52.29 61.4 Favored 'General case' 0 C--O 1.259 1.598 0 C-N-CA 124.2 1.0 . . . . 0.0 111.426 179.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 42.4 t -66.73 -37.08 83.95 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.843 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 30.5 mm-40 -75.23 -23.77 57.61 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.672 0.789 . . . . 0.0 110.944 177.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 0.5 OUTLIER -66.78 -38.36 86.41 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.923 0.889 . . . . 0.0 109.088 175.743 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.71 43.12 2.97 Favored Glycine 0 C--N 1.347 1.147 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.273 176.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.1 t -42.66 136.67 2.45 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.467 1.507 . . . . 0.0 114.599 -171.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -92.73 17.78 9.85 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 114.198 -1.364 . . . . 0.0 111.191 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.1 t -63.21 -21.91 66.53 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.876 0.87 . . . . 0.0 112.195 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 117.88 14.39 6.72 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.2 -176.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.545 ' HB3' HE22 ' A' ' 87' ' ' GLN . 78.5 mt -79.54 74.31 6.2 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 121.503 0.668 . . . . 0.0 110.115 177.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -112.87 68.98 0.68 Allowed 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.545 HE22 ' HB3' ' A' ' 85' ' ' LEU . 2.1 mp0 -76.03 93.12 3.24 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 177.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.282 0 CA-C-O 118.743 -1.031 . . . . 0.0 111.221 -174.399 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 N--CA 1.485 1.308 0 N-CA-C 110.865 -0.05 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -76.06 92.46 3.19 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.763 0.825 . . . . 0.0 109.995 -175.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -101.76 -45.13 5.33 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.18 0.592 . . . . 0.0 112.522 -171.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.4 m -65.73 -45.56 82.21 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.365 -172.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -73.04 -15.03 61.52 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.71 0.804 . . . . 0.0 112.234 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -66.3 -48.77 69.27 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.038 0.535 . . . . 0.0 110.259 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.533 ' HG3' ' HD2' ' A' ' 8' ' ' LYS . 7.8 pt-20 -81.74 -33.15 31.17 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.548 176.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.533 ' HD2' ' HG3' ' A' ' 7' ' ' GLU . 0.7 OUTLIER -86.37 23.58 1.56 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.514 0.726 . . . . 0.0 111.681 177.424 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -78.45 146.47 34.46 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 118.205 0.457 . . . . 0.0 110.843 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -66.36 145.74 55.37 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.629 0.772 . . . . 0.0 109.752 175.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 116.56 34.42 1.3 Allowed Glycine 0 N--CA 1.473 1.127 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 -168.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.406 ' HG2' ' H ' ' A' ' 12' ' ' LYS . 20.2 pttp -67.5 86.99 0.19 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.539 1.136 . . . . 0.0 110.543 177.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.98 158.25 27.99 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.45 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.45 47.41 70.27 Favored Glycine 0 C--N 1.339 0.698 0 O-C-N 123.675 0.61 . . . . 0.0 113.809 170.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.1 m -86.85 83.25 7.58 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 170.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -83.65 170.22 14.51 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.604 0.762 . . . . 0.0 110.569 -173.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.9 m -85.71 159.76 19.71 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 170.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.534 HD12 ' HG2' ' A' ' 74' ' ' LYS . 37.6 mm -56.21 -42.64 73.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.5 0.72 . . . . 0.0 111.223 -177.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.554 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 35.8 mt-10 -71.41 -34.25 70.18 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.721 0.808 . . . . 0.0 112.034 -177.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -66.27 -42.42 88.49 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 175.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.3 t -57.18 -62.96 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.114 175.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.554 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 13.8 pt-20 -63.33 -41.94 98.94 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -170.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -78.74 -33.58 46.52 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 122.623 0.369 . . . . 0.0 111.597 -174.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -95.37 -7.28 38.98 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 118.846 -0.597 . . . . 0.0 112.206 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 mt -58.53 120.09 8.21 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 118.643 0.656 . . . . 0.0 110.965 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.02 -4.48 41.64 Favored Glycine 0 C--N 1.343 0.918 0 CA-C-N 115.629 -0.714 . . . . 0.0 113.46 177.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.6 p -91.44 -178.62 5.16 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 117.125 0.463 . . . . 0.0 110.461 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -76.44 -25.12 54.06 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.97 0.508 . . . . 0.0 110.739 171.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -75.55 -40.9 56.17 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.608 0.763 . . . . 0.0 110.918 -177.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -137.94 86.42 18.01 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 176.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.47 153.9 71.84 Favored 'Trans proline' 0 C--N 1.367 1.515 0 C-N-CA 122.347 2.032 . . . . 0.0 112.125 172.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.421 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 14.5 mttm -58.69 -38.67 78.76 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.719 172.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -54.06 -52.56 60.49 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.983 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.99 -30.3 71.49 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.256 1.022 . . . . 0.0 112.639 -174.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' ' 73' ' ' TYR . 2.0 tm? -66.47 -54.78 20.21 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 173.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.431 HG22 ' NE2' ' A' ' 40' ' ' GLN . 60.9 mt -55.69 -34.38 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.834 176.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.425 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 91.8 m -67.5 -51.5 50.38 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 124.347 1.059 . . . . 0.0 110.576 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.437 ' HD2' HD12 ' A' ' 39' ' ' LEU . 69.6 t80 -54.22 -44.56 71.79 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.15 0.58 . . . . 0.0 110.123 178.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.437 HD12 ' HD2' ' A' ' 38' ' ' TYR . 10.7 mp -64.33 -46.43 83.51 Favored 'General case' 0 C--O 1.202 -1.445 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.574 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.447 ' HA ' HD21 ' A' ' 48' ' ' LEU . 1.2 pt20 -73.57 -18.91 61.01 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 119.289 0.95 . . . . 0.0 112.213 -178.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 37' ' ' THR . 29.8 mtpp -76.54 -55.85 5.15 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.543 0.337 . . . . 0.0 110.138 174.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -82.8 -39.11 22.2 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.105 0.562 . . . . 0.0 112.427 -172.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 39' ' ' LEU . . . -81.18 152.15 27.87 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 121.13 0.49 . . . . 0.0 111.65 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -75.35 157.39 34.32 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.363 174.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.48 -32.3 49.58 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.78 0.832 . . . . 0.0 113.042 -171.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.37 -40.0 73.83 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.406 1.083 . . . . 0.0 112.566 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -68.24 -37.46 80.83 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.801 0.84 . . . . 0.0 110.698 -175.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.447 HD21 ' HA ' ' A' ' 40' ' ' GLN . 2.0 mm? -74.87 -35.52 62.33 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.988 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -67.36 -26.02 66.27 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.712 173.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -70.39 -60.85 2.03 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.042 0.537 . . . . 0.0 110.039 175.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -84.42 9.93 12.05 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -174.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.37 22.13 8.06 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 124.652 1.181 . . . . 0.0 111.081 175.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.546 ' HA ' HD13 ' A' ' 60' ' ' ILE . 21.5 mt -88.22 5.2 42.74 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 124.226 1.011 . . . . 0.0 111.03 176.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.1 t -75.64 -11.33 59.99 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.825 0.85 . . . . 0.0 112.631 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.74 -161.62 30.48 Favored Glycine 0 C--N 1.354 1.542 0 N-CA-C 112.666 -0.174 . . . . 0.0 112.666 177.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.3 t -81.58 128.87 34.38 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 172.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.581 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.6 m-20 -49.84 -28.56 6.63 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 125.193 1.397 . . . . 0.0 113.656 -173.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -68.2 -52.1 38.17 Favored 'General case' 0 C--O 1.247 0.946 0 C-N-CA 123.313 0.645 . . . . 0.0 110.831 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.8 t -61.29 -42.53 98.8 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.411 176.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 57' ' ' ASN . 56.3 mt -60.55 -49.91 82.51 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.891 0 C-N-CA 123.296 0.638 . . . . 0.0 110.971 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.421 ' HB2' ' HB2' ' A' ' 32' ' ' LYS . 24.5 ptt180 -69.54 -23.75 63.62 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.717 0.407 . . . . 0.0 111.403 -176.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.555 ' HA ' ' HE2' ' A' ' 62' ' ' LYS . 10.2 mmpt? -79.02 -32.18 44.95 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 172.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -92.69 -21.64 19.88 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.481 0.712 . . . . 0.0 111.868 -175.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 78.1 mmt-85 -125.71 113.17 16.97 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 124.589 1.156 . . . . 0.0 108.447 -175.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -78.45 -175.53 4.32 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.295 0.638 . . . . 0.0 110.798 176.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.426 ' O ' HG13 ' A' ' 70' ' ' ILE . 12.6 p -48.66 -47.86 40.25 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.027 0.931 . . . . 0.0 112.682 -177.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.4 m -48.12 -44.72 32.19 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.496 1.118 . . . . 0.0 113.463 -174.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.462 HE21 ' HA ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -68.76 -38.42 80.07 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.815 0.446 . . . . 0.0 111.584 -178.786 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.5 mp -76.52 -30.44 57.18 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.816 0.847 . . . . 0.0 111.797 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.518 HG22 ' HE2' ' A' ' 74' ' ' LYS . 58.1 mt -68.48 -48.45 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 175.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.58 -46.49 86.82 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 114.575 -1.193 . . . . 0.0 110.974 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.32 -46.17 87.89 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.71 0.804 . . . . 0.0 112.48 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.431 ' HB2' HD11 ' A' ' 35' ' ' LEU . 64.4 t80 -68.17 -43.62 77.77 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.729 0.412 . . . . 0.0 110.75 -177.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.534 ' HG2' HD12 ' A' ' 18' ' ' ILE . 55.1 mtmt -57.01 -56.69 18.48 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 123.726 0.641 . . . . 0.0 109.619 174.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -54.23 -35.71 62.75 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 124.527 1.142 . . . . 0.0 111.498 -176.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -69.73 -51.69 32.0 Favored 'General case' 0 C--O 1.255 1.379 0 C-N-CA 123.848 0.859 . . . . 0.0 111.764 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.37 -28.32 67.02 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.288 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -82.82 -28.74 29.99 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.162 0.985 . . . . 0.0 110.184 177.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -64.56 -33.58 76.24 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.163 0.585 . . . . 0.0 109.496 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 86.53 43.28 6.21 Favored Glycine 0 C--N 1.347 1.156 0 C-N-CA 121.073 -0.584 . . . . 0.0 111.937 172.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.3 t -44.64 139.52 2.85 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.738 1.215 . . . . 0.0 113.622 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -97.39 24.88 6.09 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.955 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.8 t -83.98 59.65 5.38 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 123.942 0.897 . . . . 0.0 109.932 176.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.59 -28.0 3.2 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-N 115.175 -0.921 . . . . 0.0 114.145 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 44.1 mt -64.71 89.33 0.07 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.921 0.888 . . . . 0.0 111.192 -176.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -111.74 82.6 1.64 Allowed 'General case' 0 C--O 1.239 0.526 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 173.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -79.66 129.17 34.24 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.216 -0.902 . . . . 0.0 108.98 -175.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 CA-C-O 118.861 -0.966 . . . . 0.0 111.588 -178.939 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.71 0.29 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -97.47 102.96 14.85 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.52 0.728 . . . . 0.0 109.412 177.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -101.32 -16.93 16.77 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.242 0.617 . . . . 0.0 111.671 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.0 m -72.44 -14.04 61.59 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -172.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -53.94 -25.27 19.69 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 124.498 1.119 . . . . 0.0 112.427 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -55.05 -44.36 74.65 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 124.507 1.123 . . . . 0.0 112.014 178.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -114.7 4.73 15.12 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.455 0.702 . . . . 0.0 111.376 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -125.63 77.88 1.69 Allowed 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 177.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.453 ' HB3' ' O ' ' A' ' 83' ' ' SER . 10.6 tp10 -71.31 133.29 45.92 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.349 -178.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -87.64 154.62 20.45 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.555 0.742 . . . . 0.0 109.405 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.48 42.24 2.21 Favored Glycine 0 C--N 1.336 0.583 0 N-CA-C 111.546 -0.622 . . . . 0.0 111.546 -171.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.518 ' HG2' HD22 ' A' ' 85' ' ' LEU . 8.6 mtpm? -65.49 87.31 0.08 Allowed 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 121.745 0.784 . . . . 0.0 110.267 175.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.1 ptm -136.24 149.13 48.37 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 114.147 -1.388 . . . . 0.0 108.128 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 68.65 26.42 74.46 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 115.702 1.041 . . . . 0.0 115.702 168.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -85.01 76.13 10.3 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 174.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.5 m-90 -90.44 164.49 14.27 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.763 -175.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.0 m -79.45 157.36 27.53 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.462 165.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.517 HD12 ' HG2' ' A' ' 74' ' ' LYS . 51.2 mm -60.17 -42.49 90.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 122.76 0.424 . . . . 0.0 111.045 -178.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.57 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 49.3 mt-10 -67.47 -32.83 73.95 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.668 179.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -64.09 -44.59 91.87 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 176.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.7 t -57.75 -63.02 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.265 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.57 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.8 pt-20 -62.58 -41.83 99.19 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.323 0.649 . . . . 0.0 112.629 -170.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -78.48 -38.3 41.32 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 122.656 0.382 . . . . 0.0 111.32 -173.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -90.3 -8.36 51.07 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 118.886 -0.578 . . . . 0.0 111.381 -177.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 66' ' ' CYS . 5.9 mt -60.65 116.85 4.68 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 118.801 0.728 . . . . 0.0 111.408 178.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.31 -15.44 30.2 Favored Glycine 0 C--N 1.348 1.215 0 CA-C-N 115.364 -0.835 . . . . 0.0 112.663 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.0 p -88.91 176.7 6.92 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.843 0.457 . . . . 0.0 110.886 -177.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.72 -36.01 81.48 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.083 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -67.5 -43.82 79.97 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.39 0.676 . . . . 0.0 111.23 -177.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -133.18 87.13 39.88 Favored Pre-proline 0 N--CA 1.478 0.948 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -70.51 157.46 58.86 Favored 'Trans proline' 0 C--N 1.367 1.546 0 C-N-CA 121.674 1.582 . . . . 0.0 110.708 172.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -52.51 -47.36 66.69 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.132 0.573 . . . . 0.0 110.429 177.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -55.49 -38.37 69.05 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.586 -174.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -66.17 -39.72 89.95 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.866 0.866 . . . . 0.0 111.452 -178.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.41 -51.77 64.4 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.473 HG22 ' NE2' ' A' ' 40' ' ' GLN . 62.6 mt -55.99 -38.19 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-N 114.408 -1.269 . . . . 0.0 110.288 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 52.6 m -63.5 -52.88 59.37 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 124.482 1.113 . . . . 0.0 110.617 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.428 ' HD1' HD12 ' A' ' 39' ' ' LEU . 62.5 t80 -54.45 -46.28 73.26 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.746 0.418 . . . . 0.0 110.385 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.428 HD12 ' HD1' ' A' ' 38' ' ' TYR . 8.4 mp -64.13 -44.03 93.43 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.921 -177.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.473 ' NE2' HG22 ' A' ' 36' ' ' ILE . 1.9 pt20 -77.41 -17.81 57.82 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -81.45 -48.39 11.95 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.45 0.3 . . . . 0.0 110.945 174.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -93.78 -23.59 18.12 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -168.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.403 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . . . -95.03 161.87 13.96 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 120.955 0.407 . . . . 0.0 110.943 175.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -75.91 158.01 32.55 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.616 170.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.17 -31.72 65.69 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.604 0.762 . . . . 0.0 112.204 -171.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.49 -38.66 72.06 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.373 1.069 . . . . 0.0 112.689 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -64.79 -41.71 95.61 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.173 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.494 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.8 mm? -73.69 -29.18 62.13 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.461 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -72.55 -22.73 60.96 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.203 0.601 . . . . 0.0 110.734 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -78.95 -51.3 9.82 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.171 0.588 . . . . 0.0 110.762 174.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -89.13 5.77 43.06 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.11 0.564 . . . . 0.0 112.309 -176.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.455 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 9.9 mmpt? 67.78 22.46 8.85 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.749 1.219 . . . . 0.0 112.057 173.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.494 ' HB2' HD12 ' A' ' 48' ' ' LEU . 18.6 mt -89.5 4.61 48.63 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 124.023 0.929 . . . . 0.0 110.48 176.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.6 t -73.17 -21.23 60.73 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.235 1.014 . . . . 0.0 112.7 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -74.11 -165.43 12.07 Favored Glycine 0 C--N 1.352 1.436 0 O-C-N 123.622 0.576 . . . . 0.0 113.195 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.8 t -77.18 130.2 36.97 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 175.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.533 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.2 m-20 -55.01 -25.76 32.38 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.045 0.938 . . . . 0.0 113.322 -173.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -58.72 -52.81 64.13 Favored 'General case' 0 C--O 1.255 1.36 0 C-N-CA 123.644 0.777 . . . . 0.0 110.537 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.4 m -64.55 -34.85 79.2 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.883 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 57' ' ' ASN . 28.6 mt -73.96 -42.16 52.96 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 123.09 0.556 . . . . 0.0 110.674 -176.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -74.97 -18.07 60.44 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.621 0.368 . . . . 0.0 111.133 -178.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -86.58 -51.73 5.98 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.968 -0.457 . . . . 0.0 111.377 172.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.443 HD22 ' N ' ' A' ' 63' ' ' ASN . 0.8 OUTLIER -77.31 -48.81 16.44 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.079 0.552 . . . . 0.0 111.007 -170.731 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -84.51 144.15 28.89 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -125.17 -146.13 0.34 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.75 0.82 . . . . 0.0 108.925 -177.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.427 ' HA ' HD13 ' A' ' 25' ' ' LEU . 79.8 m -58.28 -59.4 5.38 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 118.335 0.516 . . . . 0.0 111.748 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.1 m -50.29 -48.7 54.89 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -165.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.424 ' HA ' HE21 ' A' ' 68' ' ' GLN . 0.0 OUTLIER -62.82 -43.49 98.67 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.041 0.536 . . . . 0.0 111.28 -179.558 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 mp -73.15 -33.28 65.4 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.989 -176.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.522 HG22 ' HE2' ' A' ' 74' ' ' LYS . 54.5 mt -67.42 -51.35 53.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 177.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.59 -39.76 81.27 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.418 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.3 -45.94 68.38 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.552 0.741 . . . . 0.0 112.627 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -66.41 -42.32 87.96 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 122.584 0.354 . . . . 0.0 110.354 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.522 ' HE2' HG22 ' A' ' 70' ' ' ILE . 56.2 mtmt -58.55 -54.37 47.83 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.318 175.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 31.6 t70 -53.89 -37.7 64.0 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.13 0.972 . . . . 0.0 111.509 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.403 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 8.5 t80 -66.75 -53.84 29.04 Favored 'General case' 0 C--O 1.255 1.388 0 C-N-CA 124.956 1.302 . . . . 0.0 111.825 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 63.8 m -66.66 -36.59 82.91 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.516 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -76.53 -25.98 54.71 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.951 0.9 . . . . 0.0 110.732 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 19.2 t-80 -69.95 -24.7 63.39 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 123.373 0.669 . . . . 0.0 109.926 173.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.71 44.8 2.82 Favored Glycine 0 C--N 1.346 1.113 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.009 169.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.9 t -41.46 138.97 1.17 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.482 1.513 . . . . 0.0 114.897 -168.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -90.18 10.79 23.14 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 114.289 -1.323 . . . . 0.0 111.837 -175.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.453 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 69.3 p -67.29 -15.91 63.96 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.86 0.864 . . . . 0.0 112.69 -176.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.76 10.18 71.46 Favored Glycine 0 C--N 1.346 1.109 0 O-C-N 122.869 0.106 . . . . 0.0 113.327 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.518 HD22 ' HG2' ' A' ' 12' ' ' LYS . 21.1 mt -94.86 44.06 1.1 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.756 0.822 . . . . 0.0 109.355 -178.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -88.14 46.02 1.34 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.203 1.001 . . . . 0.0 109.258 -177.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -148.98 121.68 8.64 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.462 1.105 . . . . 0.0 108.685 -175.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.076 0 CA-C-O 118.924 -0.931 . . . . 0.0 111.079 179.449 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.2 tpp . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 109.73 -0.471 . . . . 0.0 109.73 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -89.96 75.03 7.24 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 175.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -100.96 5.76 43.31 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.962 0.905 . . . . 0.0 111.468 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.7 m -76.34 -1.81 28.61 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.693 0.797 . . . . 0.0 112.025 176.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -60.16 -23.06 63.64 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.891 1.276 . . . . 0.0 112.705 -176.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -65.89 -39.26 90.47 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.016 0.526 . . . . 0.0 111.684 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.408 ' HG3' ' HG2' ' A' ' 8' ' ' LYS . 12.9 pt-20 -94.2 -21.86 18.79 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.071 0.548 . . . . 0.0 110.496 175.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' HG2' ' HG3' ' A' ' 7' ' ' GLU . 13.7 mmmm -110.0 40.91 1.82 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.068 0.947 . . . . 0.0 110.255 -177.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.48 122.47 14.69 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.651 0.78 . . . . 0.0 110.994 -178.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -101.61 141.92 33.75 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 114.565 -1.198 . . . . 0.0 108.795 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 118.13 33.41 1.25 Allowed Glycine 0 N--CA 1.467 0.763 0 N-CA-C 111.324 -0.711 . . . . 0.0 111.324 -169.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -74.66 87.53 2.18 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 123.335 0.654 . . . . 0.0 109.367 173.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.441 ' SD ' ' HD3' ' A' ' 41' ' ' LYS . 8.3 ptm -61.54 147.92 43.85 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.629 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.79 46.15 90.31 Favored Glycine 0 C--N 1.343 0.95 0 N-CA-C 116.126 1.21 . . . . 0.0 116.126 165.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.5 p -82.26 83.44 7.41 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 172.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 -91.72 165.37 13.33 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.17 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.427 ' HA ' ' HA2' ' A' ' 88' ' ' GLY . 22.5 m -82.51 160.95 22.52 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 166.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.432 HG23 ' HG2' ' A' ' 74' ' ' LYS . 45.7 mm -59.1 -46.55 91.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 122.854 0.461 . . . . 0.0 110.781 -178.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.614 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 49.0 mt-10 -70.99 -25.6 62.77 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.741 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -66.21 -49.37 67.51 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 172.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.3 t -55.36 -57.33 7.75 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.58 0 C-N-CA 123.49 0.716 . . . . 0.0 110.704 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.614 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 13.5 pt-20 -65.51 -44.9 85.57 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -172.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -77.59 -25.04 49.59 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.609 0.363 . . . . 0.0 111.786 -173.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -103.45 -6.23 22.06 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 118.897 -0.573 . . . . 0.0 111.94 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.482 HD22 ' HG2' ' A' ' 32' ' ' LYS . 5.8 mt -61.97 114.07 3.17 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 118.784 0.72 . . . . 0.0 110.247 175.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.17 -6.06 32.16 Favored Glycine 0 CA--C 1.527 0.836 0 CA-C-N 115.701 -0.681 . . . . 0.0 113.334 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.4 p -92.65 168.09 11.46 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 117.216 0.508 . . . . 0.0 110.259 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.27 -28.29 69.62 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.422 0.689 . . . . 0.0 110.9 175.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -71.95 -43.91 64.46 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.439 1.096 . . . . 0.0 110.387 -177.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -134.68 88.97 27.02 Favored Pre-proline 0 CA--C 1.547 0.853 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.29 150.84 59.61 Favored 'Trans proline' 0 C--N 1.369 1.625 0 C-N-CA 122.088 1.859 . . . . 0.0 111.644 174.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.482 ' HG2' HD22 ' A' ' 25' ' ' LEU . 55.9 mtmt -56.33 -36.62 68.93 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.711 0.804 . . . . 0.0 110.72 175.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -48.47 -55.59 10.53 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.173 0.989 . . . . 0.0 111.701 173.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -65.28 -36.26 83.54 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.309 1.044 . . . . 0.0 111.991 -172.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.474 HD12 ' HB3' ' A' ' 69' ' ' LEU . 3.4 tm? -61.56 -57.3 12.62 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.421 0.629 . . . . 0.0 109.46 175.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.455 HG22 ' NE2' ' A' ' 40' ' ' GLN . 57.3 mt -58.76 -36.74 62.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.571 -178.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 53.9 m -59.8 -48.44 81.67 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.318 1.047 . . . . 0.0 110.679 176.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.499 ' HD1' HD12 ' A' ' 39' ' ' LEU . 48.5 t80 -53.89 -52.27 61.04 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.325 0.65 . . . . 0.0 110.03 177.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.499 HD12 ' HD1' ' A' ' 38' ' ' TYR . 10.2 mp -62.86 -40.15 96.61 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.132 -175.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.455 ' NE2' HG22 ' A' ' 36' ' ' ILE . 1.6 pt20 -79.02 -17.62 55.0 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 121.82 -0.55 . . . . 0.0 112.034 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HD3' ' SD ' ' A' ' 13' ' ' MET . 59.6 mtpt -77.68 -49.62 14.12 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.344 0.257 . . . . 0.0 110.749 172.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -85.59 -46.3 10.94 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -172.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.41 162.74 27.61 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.145 0.498 . . . . 0.0 112.254 -178.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -82.31 161.48 22.6 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.068 173.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.58 -35.49 20.9 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.646 1.178 . . . . 0.0 112.745 -175.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.61 81.28 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.086 0.954 . . . . 0.0 112.75 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -71.61 -34.26 69.69 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.087 0.555 . . . . 0.0 110.619 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.497 HD12 ' HB2' ' A' ' 53' ' ' LEU . 2.3 mm? -73.93 -34.96 64.54 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.325 176.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -65.98 -32.29 73.68 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 120.798 0.332 . . . . 0.0 110.236 172.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -65.46 -53.47 42.32 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.268 1.027 . . . . 0.0 110.524 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -95.46 14.04 23.96 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -174.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.426 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 11.5 mmpt? 68.74 20.66 8.07 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 124.752 1.221 . . . . 0.0 111.786 174.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.497 ' HB2' HD12 ' A' ' 48' ' ' LEU . 13.6 mt -92.93 11.42 27.35 Favored 'General case' 0 CA--C 1.564 1.496 0 C-N-CA 124.439 1.095 . . . . 0.0 111.241 178.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.6 t -75.31 -22.55 57.61 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -81.14 -162.11 27.97 Favored Glycine 0 N--CA 1.475 1.292 0 CA-C-O 120.385 -0.119 . . . . 0.0 113.15 -177.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.3 t -71.59 126.79 30.61 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 176.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.571 ' HA ' HD12 ' A' ' 60' ' ' ILE . 45.1 t-20 -53.94 -30.19 45.54 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.453 1.101 . . . . 0.0 111.683 -172.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -58.19 -53.9 53.07 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.172 0.989 . . . . 0.0 111.775 174.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.4 t -69.97 -27.19 64.52 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.943 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 57' ' ' ASN . 57.9 mt -71.95 -49.37 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 122.403 0.281 . . . . 0.0 110.533 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -64.92 -32.05 73.58 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.318 0.247 . . . . 0.0 110.992 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -81.14 -38.01 27.88 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.45 HD22 ' N ' ' A' ' 63' ' ' ASN . 0.8 OUTLIER -94.55 -42.47 8.8 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 122.241 -0.287 . . . . 0.0 111.698 -172.28 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.417 ' HA ' ' NE ' ' A' ' 64' ' ' ARG . 14.8 mmp_? -75.79 137.87 40.81 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 121.104 0.478 . . . . 0.0 110.734 -177.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.459 HD22 ' N ' ' A' ' 65' ' ' ASN . 0.7 OUTLIER -75.55 154.74 36.62 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 114.583 -1.189 . . . . 0.0 109.576 179.384 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.417 ' O ' HG13 ' A' ' 70' ' ' ILE . 26.0 p -58.65 -36.29 73.88 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.373 0.669 . . . . 0.0 111.211 -178.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.8 m -59.36 -36.69 76.2 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.576 0.75 . . . . 0.0 112.249 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -61.73 -42.51 99.05 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 122.893 0.477 . . . . 0.0 110.525 173.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.474 ' HB3' HD12 ' A' ' 35' ' ' LEU . 54.2 mt -75.33 -35.49 61.2 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.359 1.064 . . . . 0.0 111.306 -173.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.469 ' O ' ' HG3' ' A' ' 74' ' ' LYS . 63.7 mt -66.05 -58.43 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 176.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.83 -33.09 66.42 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 124.424 1.078 . . . . 0.0 111.756 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.18 -53.48 56.4 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.536 0.734 . . . . 0.0 111.933 173.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -64.33 -39.15 93.33 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 122.796 0.439 . . . . 0.0 110.933 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 70' ' ' ILE . 56.0 mtpt -59.4 -55.34 35.97 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.526 0.73 . . . . 0.0 110.072 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.17 -35.4 75.28 Favored 'General case' 0 C--O 1.204 -1.326 0 CA-C-N 114.673 -1.149 . . . . 0.0 110.257 -176.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.2 -58.74 6.63 Favored 'General case' 0 C--O 1.256 1.444 0 C-N-CA 123.96 0.904 . . . . 0.0 110.795 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 74.7 m -59.59 -35.86 75.14 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.094 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -79.38 -37.03 38.29 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.59 0.756 . . . . 0.0 111.767 -178.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -78.95 -9.53 59.54 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 123.495 0.718 . . . . 0.0 111.063 -176.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.6 49.44 0.97 Allowed Glycine 0 C--N 1.352 1.446 0 C-N-CA 120.085 -1.055 . . . . 0.0 112.91 175.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.0 t -40.36 140.29 0.65 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.067 1.347 . . . . 0.0 113.628 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -71.27 -6.48 40.06 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.179 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.8 m -64.67 -24.88 67.72 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.388 0.675 . . . . 0.0 110.731 168.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.31 16.81 79.7 Favored Glycine 0 C--N 1.356 1.688 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.029 -173.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.5 mt -120.09 88.73 2.99 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 123.914 0.886 . . . . 0.0 109.163 -172.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -81.82 10.08 6.92 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.821 0.849 . . . . 0.0 111.559 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -75.76 138.84 41.49 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 123.978 0.911 . . . . 0.0 110.168 178.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.427 ' HA2' ' HA ' ' A' ' 17' ' ' SER . . . . . . . . 0 C--O 1.253 1.292 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.577 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -147.29 102.57 3.49 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.248 0.619 . . . . 0.0 109.591 173.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -78.98 -16.3 57.1 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.281 1.032 . . . . 0.0 110.935 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.7 t -68.29 -13.69 62.45 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.742 0.817 . . . . 0.0 111.315 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.534 ' HA ' ' HB2' ' A' ' 8' ' ' LYS . 26.6 t70 -66.62 -13.54 61.28 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 123.914 0.886 . . . . 0.0 111.125 173.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 5.0 ttmp? -63.84 -43.3 96.57 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.034 0.934 . . . . 0.0 111.178 173.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.602 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 13.7 pt-20 -88.3 -10.45 49.53 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.381 0.273 . . . . 0.0 110.952 177.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.534 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 31.0 mmmt -102.63 21.92 14.52 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.891 0.876 . . . . 0.0 110.614 173.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -70.94 162.11 29.91 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.305 1.042 . . . . 0.0 111.788 -173.353 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -57.23 127.1 30.26 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.961 0.905 . . . . 0.0 110.864 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.43 -56.46 3.72 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.389 0.995 . . . . 0.0 113.436 -176.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.416 ' HE3' ' OD1' ' A' ' 42' ' ' ASN . 14.0 mmmm -90.44 87.12 6.65 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-O 121.41 0.624 . . . . 0.0 111.616 177.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.75 173.44 10.64 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 170.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.44 26.58 67.53 Favored Glycine 0 C--N 1.338 0.668 0 N-CA-C 114.118 0.407 . . . . 0.0 114.118 172.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.602 ' SG ' ' HB2' ' A' ' 7' ' ' GLU . 14.7 p -80.31 91.27 5.62 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 174.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -99.49 178.98 4.71 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.303 0.641 . . . . 0.0 110.672 -177.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.3 m -98.85 168.95 9.8 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.591 0.756 . . . . 0.0 109.231 168.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.577 HD12 ' HG2' ' A' ' 74' ' ' LYS . 49.3 mm -57.57 -44.22 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 123.653 0.781 . . . . 0.0 110.234 178.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.605 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 44.5 mt-10 -71.73 -33.89 69.1 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.384 -175.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -63.89 -45.48 89.17 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 175.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.8 t -56.14 -60.36 1.91 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.482 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.115 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.605 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 10.7 pt-20 -64.08 -42.79 96.84 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -171.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -76.25 -37.0 58.21 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.958 0.503 . . . . 0.0 111.769 -173.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -92.09 -10.44 38.99 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-O 119.165 -0.445 . . . . 0.0 111.472 -177.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.408 HD13 ' HB2' ' A' ' 66' ' ' CYS . 5.4 mt -59.17 113.44 2.13 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 118.259 0.481 . . . . 0.0 111.555 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.23 -27.54 6.65 Favored Glycine 0 C--N 1.343 0.931 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.917 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.1 p -79.28 176.84 9.31 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.062 0.545 . . . . 0.0 110.22 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -77.07 -22.28 53.09 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 172.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -59.2 -50.6 73.4 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.079 0.551 . . . . 0.0 110.085 174.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -138.86 82.97 19.49 Favored Pre-proline 0 N--CA 1.473 0.688 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.389 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.454 ' HG2' ' HB2' ' A' ' 34' ' ' ASP . 36.5 Cg_endo -67.92 155.12 70.95 Favored 'Trans proline' 0 C--N 1.369 1.609 0 C-N-CA 121.953 1.768 . . . . 0.0 111.117 173.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -54.57 -46.01 73.61 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.406 0.682 . . . . 0.0 110.8 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -53.47 -40.57 65.4 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.668 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.454 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 38.8 t70 -72.47 -33.86 67.31 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.321 0.648 . . . . 0.0 111.69 -173.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.57 -47.98 73.95 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 174.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.42 HG22 ' NE2' ' A' ' 40' ' ' GLN . 58.3 mt -57.68 -40.36 74.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.388 176.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 63.7 m -63.05 -49.96 72.5 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.279 1.032 . . . . 0.0 110.879 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -58.08 -44.22 87.43 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.975 0.51 . . . . 0.0 110.601 178.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.42 -41.8 98.7 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.012 0.525 . . . . 0.0 111.657 -178.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.436 ' HA ' HD21 ' A' ' 48' ' ' LEU . 1.3 pt20 -77.81 -18.13 56.7 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 122.139 -0.351 . . . . 0.0 111.818 179.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -78.69 -48.78 14.3 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 122.41 0.284 . . . . 0.0 111.123 172.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.416 ' OD1' ' HE3' ' A' ' 12' ' ' LYS . 22.0 m-80 -88.39 -46.72 8.93 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.146 0.578 . . . . 0.0 112.408 -170.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.15 163.37 25.9 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 122.635 0.374 . . . . 0.0 111.49 -177.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -76.97 159.39 29.98 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.229 172.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.0 -32.79 64.27 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.691 0.796 . . . . 0.0 112.034 -175.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.51 -41.56 66.46 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.413 1.085 . . . . 0.0 112.156 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -66.22 -42.1 89.15 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.222 -177.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.495 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.8 mm? -73.14 -28.77 62.43 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.463 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -77.53 -21.26 52.91 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.017 0.527 . . . . 0.0 111.02 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -77.3 -50.13 13.5 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.617 0.767 . . . . 0.0 109.965 174.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -91.39 8.3 36.89 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.556 0.743 . . . . 0.0 111.649 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm 59.59 23.71 12.45 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 124.766 1.226 . . . . 0.0 112.323 174.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.495 ' HB2' HD12 ' A' ' 48' ' ' LEU . 22.9 mt -82.6 1.47 38.02 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 124.288 1.035 . . . . 0.0 109.887 174.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.5 t -69.76 -13.85 62.49 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.009 1.323 . . . . 0.0 112.359 175.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.97 -168.66 37.74 Favored Glycine 0 C--N 1.352 1.421 0 O-C-N 122.934 0.146 . . . . 0.0 113.027 178.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.7 t -77.25 131.2 38.07 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 173.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.549 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.5 m-20 -56.32 -25.54 49.16 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.595 0.758 . . . . 0.0 112.847 -174.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.1 ttmp? -59.44 -55.03 39.76 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 123.678 0.611 . . . . 0.0 110.418 175.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.5 m -66.6 -35.36 80.0 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.083 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' A' ' 57' ' ' ASN . 60.2 mt -65.14 -53.59 39.11 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 O-C-N 123.583 0.552 . . . . 0.0 111.293 -178.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -69.24 -27.36 65.38 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 117.655 0.207 . . . . 0.0 111.062 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -73.05 -46.65 50.54 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.144 0.577 . . . . 0.0 110.856 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.52 -45.95 9.5 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.658 0.783 . . . . 0.0 111.208 -172.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.497 ' HD3' HG23 ' A' ' 60' ' ' ILE . 74.1 mtp85 -90.37 151.33 21.49 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.614 0.766 . . . . 0.0 110.151 -179.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -103.87 169.86 8.26 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.103 -176.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.485 ' O ' HG13 ' A' ' 70' ' ' ILE . 28.2 p -59.81 -29.45 68.25 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.528 0.731 . . . . 0.0 111.182 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.0 m -50.82 -45.33 59.41 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.453 1.101 . . . . 0.0 112.252 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -66.09 -37.76 86.58 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.964 0.906 . . . . 0.0 111.541 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.5 mp -72.04 -33.85 68.33 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.37 1.068 . . . . 0.0 111.777 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 66' ' ' CYS . 32.3 mt -68.88 -48.11 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 175.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.62 -37.47 75.94 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.342 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.3 -44.6 67.99 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.656 0.782 . . . . 0.0 112.036 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -67.51 -38.48 84.35 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -178.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.577 ' HG2' HD12 ' A' ' 18' ' ' ILE . 55.9 mtmt -61.4 -51.71 67.6 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.376 173.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -59.92 -31.95 70.31 Favored 'General case' 0 C--O 1.201 -1.462 0 O-C-N 123.642 0.589 . . . . 0.0 111.132 -177.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -67.58 -53.66 26.33 Favored 'General case' 0 C--O 1.253 1.267 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 175.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 42.7 t -60.14 -32.07 70.67 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 114.679 -1.146 . . . . 0.0 112.077 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 27.4 mm-40 -89.51 -36.99 15.07 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.69 0.796 . . . . 0.0 111.256 -176.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -81.06 2.88 25.25 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 123.6 0.76 . . . . 0.0 110.95 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.27 47.37 1.33 Allowed Glycine 0 C--N 1.353 1.513 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.842 166.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.509 HG21 ' HB2' ' A' ' 85' ' ' LEU . 1.6 t -39.55 121.95 1.29 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.454 1.502 . . . . 0.0 113.967 -172.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -80.1 6.58 11.21 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.667 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.1 t -74.7 -15.91 60.77 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 123.144 0.578 . . . . 0.0 109.546 162.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.02 23.88 54.05 Favored Glycine 0 C--N 1.353 1.505 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.981 177.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.509 ' HB2' HG21 ' A' ' 81' ' ' THR . 71.7 mt -81.27 80.6 7.66 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 122.731 0.412 . . . . 0.0 109.952 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -87.53 73.52 9.46 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 169.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -73.47 132.07 42.51 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 114.695 -1.139 . . . . 0.0 109.903 -174.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.132 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 -175.195 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptm . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 120.81 0.338 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -98.29 144.75 27.37 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.989 0.915 . . . . 0.0 108.896 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -100.5 -41.63 6.91 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.396 0.678 . . . . 0.0 110.904 176.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.6 m -62.9 -21.89 66.34 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.204 1.002 . . . . 0.0 113.284 -170.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -77.37 10.94 2.18 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.057 0.943 . . . . 0.0 112.54 -178.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -67.99 -40.57 83.05 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.55 0.74 . . . . 0.0 109.69 178.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -135.87 -26.01 1.22 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.214 1.006 . . . . 0.0 111.174 -178.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -86.83 69.45 10.29 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 177.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -101.81 145.55 29.02 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 114.623 -1.171 . . . . 0.0 110.98 -176.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -90.37 152.15 21.13 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.859 0.864 . . . . 0.0 109.773 -178.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.23 -51.52 4.24 Favored Glycine 0 C--N 1.342 0.904 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 -175.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -85.21 85.18 7.48 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 170.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.6 ptm -95.31 113.83 25.54 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 114.398 -1.274 . . . . 0.0 110.092 -177.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 54.99 47.78 70.94 Favored Glycine 0 C--N 1.348 1.21 0 O-C-N 123.564 0.54 . . . . 0.0 114.439 169.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.2 m -88.45 95.02 10.05 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 175.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.413 ' CE2' HD21 ' A' ' 30' ' ' LEU . 3.5 m-90 -97.97 179.37 4.81 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-O 121.505 0.669 . . . . 0.0 111.325 -173.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.7 m -92.54 163.62 13.75 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.006 166.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.571 HD12 ' HG2' ' A' ' 74' ' ' LYS . 50.5 mm -60.02 -46.14 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.383 0.673 . . . . 0.0 110.997 -177.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.525 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 1.2 tt0 -69.44 -35.02 75.28 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.338 -175.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -59.15 -45.5 90.8 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.3 t -55.57 -63.37 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.469 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.525 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 11.3 pt-20 -62.63 -44.34 96.53 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -171.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -73.17 -35.39 66.41 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.985 0.514 . . . . 0.0 111.248 -173.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -97.8 -6.56 32.43 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-O 119.173 -0.441 . . . . 0.0 111.986 -176.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.437 HD22 ' HG2' ' A' ' 32' ' ' LYS . 6.8 mt -60.92 121.48 12.48 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-N 118.508 0.595 . . . . 0.0 111.855 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.81 -0.87 55.26 Favored Glycine 0 C--N 1.344 0.987 0 CA-C-N 115.572 -0.74 . . . . 0.0 113.207 178.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.5 p -98.09 -177.86 3.87 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 117.5 0.65 . . . . 0.0 110.411 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -71.99 -22.16 61.46 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.262 0.625 . . . . 0.0 110.32 171.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -76.19 -50.62 14.03 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.789 0.836 . . . . 0.0 110.195 -175.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.413 HD21 ' CE2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -130.82 87.27 49.77 Favored Pre-proline 0 N--CA 1.476 0.838 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 176.17 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -68.33 145.86 67.1 Favored 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 121.954 1.769 . . . . 0.0 110.909 173.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.586 ' HD3' ' SG ' ' A' ' 66' ' ' CYS . 49.7 mtmt -56.35 -38.18 71.02 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.596 0.759 . . . . 0.0 111.859 -177.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.408 ' HB2' ' HD3' ' A' ' 61' ' ' ARG . 2.2 t30 -55.8 -44.83 78.2 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 124.069 0.856 . . . . 0.0 110.803 -178.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -70.32 -30.18 67.09 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.739 0.815 . . . . 0.0 111.71 -173.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.11 -50.83 60.13 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 175.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.441 HD13 HG22 ' A' ' 60' ' ' ILE . 46.9 mt -61.12 -38.03 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.631 178.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 56.7 m -56.84 -51.35 69.34 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.656 1.183 . . . . 0.0 109.726 177.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -53.9 -49.19 69.15 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.999 0.812 . . . . 0.0 110.379 176.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.23 -43.01 99.79 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.832 -175.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.41 ' HA ' HD21 ' A' ' 48' ' ' LEU . 1.6 pt20 -80.55 -19.28 46.04 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.705 -0.622 . . . . 0.0 112.211 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -82.33 -40.13 21.86 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.513 0.325 . . . . 0.0 111.505 174.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -94.38 -23.7 17.67 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.446 0.698 . . . . 0.0 112.324 -171.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -107.9 174.08 6.04 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -175.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.434 ' O ' HD22 ' A' ' 48' ' ' LEU . 5.6 m-20 -90.88 162.56 14.74 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.787 1.235 . . . . 0.0 110.753 -177.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.24 -35.89 67.9 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.342 0.657 . . . . 0.0 111.827 -177.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.33 -41.06 75.44 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.017 0.927 . . . . 0.0 111.657 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -65.29 -45.4 84.57 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.519 -177.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.434 HD22 ' O ' ' A' ' 44' ' ' ASP . 1.5 mm? -69.91 -42.76 72.91 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.838 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.64 -24.51 67.05 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.063 0.545 . . . . 0.0 111.21 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -74.14 -53.87 8.97 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.631 0.773 . . . . 0.0 110.327 173.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -86.3 10.21 15.51 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.428 0.691 . . . . 0.0 112.59 -174.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt 66.48 22.78 10.6 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.779 1.231 . . . . 0.0 111.091 173.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.416 ' HB2' HD12 ' A' ' 48' ' ' LEU . 28.1 mt -95.47 15.65 19.1 Favored 'General case' 0 CA--C 1.56 1.336 0 C-N-CA 125.053 1.341 . . . . 0.0 111.93 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.3 t -81.94 -9.46 59.57 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 -174.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -87.36 -147.75 12.73 Favored Glycine 0 N--CA 1.48 1.622 0 CA-C-N 117.603 0.183 . . . . 0.0 113.158 -178.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.3 t -90.1 128.7 36.38 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 176.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -56.32 -27.1 54.6 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 124.25 1.02 . . . . 0.0 112.284 -169.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -62.88 -53.87 47.52 Favored 'General case' 0 C--O 1.249 1.046 0 C-N-CA 123.577 0.751 . . . . 0.0 110.916 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 m -68.46 -33.44 74.18 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.533 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.441 HG22 HD13 ' A' ' 36' ' ' ILE . 85.4 mt -65.55 -44.33 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 122.881 0.472 . . . . 0.0 111.076 -178.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.408 ' HD3' ' HB2' ' A' ' 33' ' ' ASN . 20.9 ptt85 -69.2 -32.49 71.8 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 121.848 -0.533 . . . . 0.0 109.889 176.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -72.58 -30.32 64.29 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 123.238 0.615 . . . . 0.0 112.477 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -103.83 -48.13 4.01 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.872 0.469 . . . . 0.0 111.466 -174.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.465 ' NH2' ' HG3' ' A' ' 68' ' ' GLN . 18.3 mmm180 -76.38 140.12 41.24 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -175.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -85.21 156.92 20.78 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.645 -175.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.586 ' SG ' ' HD3' ' A' ' 32' ' ' LYS . 87.4 m -56.74 -39.56 74.17 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.398 0.679 . . . . 0.0 110.661 177.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.486 ' HA ' HD12 ' A' ' 70' ' ' ILE . 16.3 m -54.91 -38.02 67.1 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.424 1.09 . . . . 0.0 111.944 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.465 ' HG3' ' NH2' ' A' ' 64' ' ' ARG . 1.2 tm0? -65.55 -46.56 79.05 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.773 0.829 . . . . 0.0 110.3 176.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.8 mp -64.41 -35.84 82.21 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.788 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 67' ' ' SER . 32.7 mt -67.02 -50.16 66.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 176.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.88 -33.24 70.27 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.114 0.966 . . . . 0.0 111.786 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.65 -46.59 37.1 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.519 0.728 . . . . 0.0 110.915 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -65.72 -38.23 88.6 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.724 0.41 . . . . 0.0 110.251 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.571 ' HG2' HD12 ' A' ' 18' ' ' ILE . 58.9 mtmt -62.56 -56.48 17.56 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.26 0.624 . . . . 0.0 109.558 175.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -50.25 -40.86 49.16 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.981 0.913 . . . . 0.0 111.315 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -67.35 -46.87 72.1 Favored 'General case' 0 C--O 1.25 1.105 0 C-N-CA 124.346 1.059 . . . . 0.0 111.485 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 43.5 t -62.76 -36.09 81.92 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.417 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 11.9 mm-40 -84.07 -24.87 30.21 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.9 0.88 . . . . 0.0 110.46 -177.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -68.22 -23.21 64.79 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.485 0.714 . . . . 0.0 110.151 168.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.36 43.12 5.65 Favored Glycine 0 C--N 1.348 1.24 0 N-CA-C 112.017 -0.433 . . . . 0.0 112.017 169.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.5 t -43.69 122.08 2.59 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.718 1.207 . . . . 0.0 113.292 -174.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.436 ' HG2' HD22 ' A' ' 86' ' ' ASN . 51.3 mtmt -98.62 26.58 5.47 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.554 -177.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.7 t -88.27 63.27 7.09 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 173.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 94.37 -39.93 2.82 Favored Glycine 0 C--N 1.346 1.111 0 CA-C-N 115.165 -0.925 . . . . 0.0 113.393 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.54 -70.17 0.27 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.392 0.677 . . . . 0.0 111.241 -174.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.436 HD22 ' HG2' ' A' ' 82' ' ' LYS . 7.4 t30 -88.71 73.54 8.5 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -106.12 114.78 29.13 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.192 0 CA-C-O 119.055 -0.859 . . . . 0.0 111.821 179.124 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.1 ttm . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -98.96 85.41 3.26 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 173.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -102.26 -28.7 12.12 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.478 0.711 . . . . 0.0 111.07 177.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.7 t -90.52 -4.4 56.94 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.575 0.75 . . . . 0.0 112.554 -171.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -97.43 -12.59 22.54 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -171.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.489 ' HD2' ' N ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -58.35 -27.43 64.17 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -179.542 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.489 ' N ' ' HD2' ' A' ' 6' ' ' LYS . 10.4 pt-20 -83.74 -23.21 31.68 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.811 1.244 . . . . 0.0 111.305 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -119.86 32.18 6.18 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.0 1.32 . . . . 0.0 108.374 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -71.49 150.99 44.33 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.307 -173.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -71.03 157.91 37.4 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.922 0.889 . . . . 0.0 110.625 174.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.52 38.51 10.69 Favored Glycine 0 C--N 1.339 0.749 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 -168.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.529 ' HB3' HD11 ' A' ' 85' ' ' LEU . 54.1 mttm -70.77 86.95 0.69 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.547 1.139 . . . . 0.0 110.44 -172.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.61 173.84 9.28 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.093 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.96 13.0 83.85 Favored Glycine 0 C--N 1.339 0.733 0 N-CA-C 114.821 0.688 . . . . 0.0 114.821 169.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.455 ' HB2' HD13 ' A' ' 85' ' ' LEU . 44.6 t -84.93 95.5 9.06 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 172.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 -102.03 165.87 10.93 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.282 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.4 m -71.13 152.82 43.06 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 166.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.629 HD12 ' HG2' ' A' ' 74' ' ' LYS . 50.3 mm -56.66 -41.39 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 122.948 0.499 . . . . 0.0 109.695 175.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.575 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 38.1 mt-10 -69.55 -34.79 74.7 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.863 178.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -64.68 -45.01 88.5 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 176.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.5 t -56.39 -59.75 2.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 O-C-N 124.216 0.947 . . . . 0.0 110.08 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.575 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 13.1 pt-20 -65.76 -37.75 87.21 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -171.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -83.75 -24.64 31.04 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.777 0.431 . . . . 0.0 111.966 -173.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -101.56 -8.53 21.8 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 25' ' ' LEU . 7.1 mt -64.86 115.72 5.62 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 118.608 0.64 . . . . 0.0 110.015 177.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.6 -17.36 12.23 Favored Glycine 0 C--N 1.338 0.647 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.152 -177.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.2 p -82.58 177.11 8.88 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 173.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -84.92 -13.43 50.83 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.04 0.536 . . . . 0.0 110.431 171.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -78.45 -40.57 35.29 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.84 0.856 . . . . 0.0 110.483 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.69 79.29 64.65 Favored Pre-proline 0 C--O 1.241 0.64 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 170.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.95 154.25 63.11 Favored 'Trans proline' 0 C--N 1.371 1.714 0 C-N-CA 121.767 1.644 . . . . 0.0 111.4 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -58.12 -38.89 77.39 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.343 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -49.81 -51.12 42.08 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.597 1.159 . . . . 0.0 111.109 173.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -66.81 -36.77 83.13 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.072 0.949 . . . . 0.0 111.723 -172.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.49 HD12 ' HB3' ' A' ' 69' ' ' LEU . 2.8 tm? -63.2 -51.45 66.29 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.46 HG23 ' HB3' ' A' ' 53' ' ' LEU . 71.4 mt -59.34 -37.61 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.74 178.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.5 m -62.16 -52.28 64.44 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 124.09 0.869 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.429 ' HD1' HD12 ' A' ' 39' ' ' LEU . 36.8 t80 -55.61 -46.58 77.32 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.065 0.546 . . . . 0.0 110.273 177.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.429 HD12 ' HD1' ' A' ' 38' ' ' TYR . 6.3 mp -58.91 -44.14 91.2 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.509 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.441 ' HA ' HD21 ' A' ' 48' ' ' LEU . 1.6 pt20 -79.3 -19.39 50.55 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -74.06 -49.44 24.13 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.11 0.481 . . . . 0.0 110.333 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -93.09 -24.82 18.16 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.685 -167.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.45 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . . . -88.89 173.75 8.33 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.409 0.623 . . . . 0.0 112.353 176.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -87.9 157.38 18.98 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 114.666 -1.152 . . . . 0.0 108.766 169.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.21 -29.73 47.35 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.759 0.823 . . . . 0.0 112.246 -174.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.86 -43.0 80.75 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.791 1.236 . . . . 0.0 112.388 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -64.05 -40.4 96.22 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.767 0.827 . . . . 0.0 110.424 -177.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.473 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.4 mm? -76.61 -29.12 56.39 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.677 -178.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -70.26 -29.39 66.17 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 122.672 0.389 . . . . 0.0 110.563 173.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -70.53 -59.19 2.98 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.66 0.784 . . . . 0.0 110.729 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -81.48 1.19 34.43 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.614 0.766 . . . . 0.0 112.335 -177.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? 69.12 24.03 6.25 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 124.731 1.213 . . . . 0.0 111.619 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.473 ' HB2' HD12 ' A' ' 48' ' ' LEU . 16.5 mt -86.84 6.02 33.82 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 124.334 1.054 . . . . 0.0 111.246 177.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.4 t -78.97 -13.19 59.94 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 123.768 0.827 . . . . 0.0 112.765 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.86 -155.39 10.36 Favored Glycine 0 C--N 1.354 1.555 0 C-N-CA 122.495 0.093 . . . . 0.0 113.119 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.405 ' O ' HG13 ' A' ' 60' ' ' ILE . 9.8 t -85.29 132.65 34.23 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 173.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.514 ' HA ' HD12 ' A' ' 60' ' ' ILE . 16.2 m120 -51.99 -32.27 33.04 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.469 1.108 . . . . 0.0 113.064 -171.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -59.47 -55.04 39.63 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.837 0.855 . . . . 0.0 110.865 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.9 m -69.58 -33.48 72.78 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.423 -176.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 57' ' ' ASN . 49.9 mt -65.22 -52.32 54.1 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.093 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.661 -179.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -68.82 -27.79 66.16 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.376 0.27 . . . . 0.0 110.922 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -65.38 -44.4 87.68 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.488 0.715 . . . . 0.0 110.325 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.422 HD22 ' N ' ' A' ' 63' ' ' ASN . 1.0 OUTLIER -87.02 -53.21 5.0 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 121.109 0.481 . . . . 0.0 111.058 -177.736 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -84.88 103.41 13.92 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.12 0.968 . . . . 0.0 108.536 -177.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -70.67 172.59 8.41 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.963 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.484 ' O ' HG13 ' A' ' 70' ' ' ILE . 75.5 m -50.96 -40.67 58.22 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.785 -1.098 . . . . 0.0 112.545 -176.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.454 ' HA ' HD12 ' A' ' 70' ' ' ILE . 12.6 m -52.02 -46.98 65.21 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.564 1.146 . . . . 0.0 112.251 -177.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -65.42 -38.3 89.51 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.348 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.49 ' HB3' HD12 ' A' ' 35' ' ' LEU . 58.1 mt -74.84 -24.71 58.64 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.575 -177.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 66' ' ' CYS . 62.2 mt -70.29 -50.9 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 172.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.43 -34.06 73.43 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.352 177.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.88 -47.8 61.2 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.65 0.78 . . . . 0.0 111.956 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -66.4 -38.96 88.66 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 122.835 0.454 . . . . 0.0 110.477 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.629 ' HG2' HD12 ' A' ' 18' ' ' ILE . 55.7 mtmt -61.63 -54.95 36.01 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 175.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 20.2 t70 -52.88 -36.34 59.12 Favored 'General case' 0 C--O 1.204 -1.322 0 O-C-N 124.205 0.941 . . . . 0.0 110.928 -179.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.45 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 7.3 t80 -66.8 -51.94 49.78 Favored 'General case' 0 C--O 1.258 1.536 0 C-N-CA 125.091 1.356 . . . . 0.0 111.653 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 86' ' ' ASN . 41.5 t -63.57 -36.31 83.38 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.318 178.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 13.6 mm-40 -82.07 -24.37 35.29 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.017 0.927 . . . . 0.0 110.714 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.425 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 36.2 t-80 -66.98 -32.28 73.41 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.927 0.891 . . . . 0.0 109.781 174.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.651 ' HA2' HD21 ' A' ' 86' ' ' ASN . . . 101.98 44.26 1.94 Allowed Glycine 0 C--N 1.346 1.127 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.866 176.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.2 t -43.38 139.18 2.09 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.844 1.258 . . . . 0.0 113.536 -173.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -61.05 -21.03 63.25 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.798 1.239 . . . . 0.0 112.315 -178.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.2 m -59.08 -29.14 67.12 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.479 1.112 . . . . 0.0 111.382 177.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.21 24.38 77.07 Favored Glycine 0 C--N 1.351 1.415 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.174 -174.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.529 HD11 ' HB3' ' A' ' 12' ' ' LYS . 85.1 mt -103.61 35.01 2.74 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.938 0.895 . . . . 0.0 110.498 -175.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.651 HD21 ' HA2' ' A' ' 80' ' ' GLY . 1.5 m-20 -71.38 105.33 3.49 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 173.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -128.87 103.81 7.25 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 -172.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.267 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.685 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -130.37 62.09 1.59 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 167.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -101.35 4.47 41.57 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.151 0.58 . . . . 0.0 111.664 -178.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.5 t -72.02 -23.84 61.46 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.764 0.825 . . . . 0.0 110.621 -179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -61.94 -34.84 76.84 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.222 1.009 . . . . 0.0 112.1 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -78.55 8.67 4.89 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.597 0.759 . . . . 0.0 112.701 -176.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -132.05 -46.61 0.93 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.794 0.838 . . . . 0.0 110.794 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -81.4 -50.78 9.06 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.608 0.763 . . . . 0.0 109.882 -173.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -74.88 141.37 44.18 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 170.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -63.81 154.8 32.36 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.512 0.725 . . . . 0.0 111.346 -171.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.22 19.1 15.16 Favored Glycine 0 N--CA 1.471 1.019 0 N-CA-C 111.667 -0.573 . . . . 0.0 111.667 -171.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.525 ' HD3' ' H ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -63.11 128.54 36.31 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 124.029 0.932 . . . . 0.0 109.83 175.538 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.46 147.11 22.59 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.792 0.837 . . . . 0.0 110.926 -173.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.33 39.35 31.38 Favored Glycine 0 C--N 1.334 0.431 0 CA-C-N 116.183 -0.462 . . . . 0.0 113.878 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.1 p -91.5 107.66 19.36 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 169.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -114.23 167.04 11.04 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.422 0.689 . . . . 0.0 110.648 -172.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.3 m -76.23 158.88 31.17 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 166.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.43 HD12 ' HG2' ' A' ' 74' ' ' LYS . 49.0 mm -55.06 -44.14 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 123.054 0.542 . . . . 0.0 110.199 175.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.556 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 38.5 mt-10 -66.86 -38.59 86.64 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.377 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -63.73 -44.54 93.24 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 176.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.3 t -55.01 -60.97 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.487 0.715 . . . . 0.0 110.089 176.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.556 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.8 pt-20 -63.17 -46.52 86.72 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.346 0.658 . . . . 0.0 112.715 -169.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -71.83 -41.79 67.73 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 122.971 0.508 . . . . 0.0 110.826 -173.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -90.43 -8.84 49.52 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 119.004 -0.522 . . . . 0.0 111.507 -173.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mt -57.18 125.41 22.6 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 122.899 0.48 . . . . 0.0 111.565 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.9 -3.94 52.65 Favored Glycine 0 C--N 1.345 1.056 0 CA-C-N 115.504 -0.771 . . . . 0.0 113.207 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.2 p -100.19 -173.48 2.44 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 117.338 0.569 . . . . 0.0 110.383 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -79.72 -26.27 40.9 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.908 0.483 . . . . 0.0 110.223 170.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -63.1 -53.19 57.49 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.224 0.61 . . . . 0.0 109.668 176.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 30' ' ' LEU . 1.1 tm? -136.07 88.02 22.78 Favored Pre-proline 0 CA--C 1.542 0.654 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.91 157.58 54.55 Favored 'Trans proline' 0 C--N 1.364 1.38 0 C-N-CA 121.932 1.754 . . . . 0.0 111.332 173.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -55.37 -47.28 76.04 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.431 0.692 . . . . 0.0 110.64 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.409 ' OD1' ' HB3' ' A' ' 57' ' ' ASN . 5.0 t30 -57.74 -38.08 74.73 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.175 0.99 . . . . 0.0 111.914 -175.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -69.44 -37.34 77.34 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.579 0.752 . . . . 0.0 111.048 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.33 -51.52 67.31 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.942 0.897 . . . . 0.0 109.077 173.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.7 mt -57.41 -42.68 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 C-N-CA 124.942 1.297 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 85.5 m -64.65 -47.45 78.45 Favored 'General case' 0 C--N 1.347 0.465 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.065 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -58.39 -41.42 84.83 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.805 0.442 . . . . 0.0 110.828 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.404 HD11 ' HD1' ' A' ' 73' ' ' TYR . 9.2 mp -68.96 -36.98 78.55 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 122.828 0.451 . . . . 0.0 111.998 -178.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.02 -17.8 56.65 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 118.794 0.724 . . . . 0.0 111.603 176.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -80.35 -41.77 24.13 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.413 0.285 . . . . 0.0 110.879 172.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -89.77 -45.05 9.57 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -174.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.6 154.55 20.96 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.127 0.571 . . . . 0.0 111.821 -176.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -73.43 159.6 33.01 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.266 173.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.23 -31.32 31.62 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.434 1.094 . . . . 0.0 112.774 -174.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.28 -42.04 90.33 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.168 0.987 . . . . 0.0 112.333 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -67.25 -38.86 85.86 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.579 -177.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.524 HD12 ' HB2' ' A' ' 53' ' ' LEU . 2.0 mm? -71.74 -32.14 67.42 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.429 178.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -70.99 -25.81 62.86 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 122.634 0.374 . . . . 0.0 111.097 174.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -71.52 -53.91 12.29 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.152 0.581 . . . . 0.0 109.879 175.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -94.32 12.64 26.23 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.415 0.686 . . . . 0.0 112.633 -172.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.621 ' HB2' ' HD2' ' A' ' 64' ' ' ARG . 11.0 mmpt? 66.47 22.67 10.63 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.54 1.136 . . . . 0.0 112.0 172.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.524 ' HB2' HD12 ' A' ' 48' ' ' LEU . 19.6 mt -91.05 7.97 37.79 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.839 0.855 . . . . 0.0 110.565 177.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -82.09 -12.47 58.2 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 124.38 1.072 . . . . 0.0 112.7 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -77.82 -161.68 16.72 Favored Glycine 0 C--N 1.355 1.607 0 CA-C-O 120.18 -0.233 . . . . 0.0 112.798 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.41 ' O ' HG13 ' A' ' 60' ' ' ILE . 6.9 t -80.29 129.71 34.69 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 170.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.525 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.6 m-20 -51.76 -26.04 8.77 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 124.28 1.032 . . . . 0.0 113.774 -172.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -68.92 -49.76 55.31 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 123.382 0.673 . . . . 0.0 110.302 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.8 m -68.87 -27.74 66.07 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.252 177.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 57' ' ' ASN . 61.6 mt -71.76 -49.98 41.84 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 C-N-CA 122.85 0.46 . . . . 0.0 110.098 178.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -67.94 -19.68 65.0 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 122.156 -0.34 . . . . 0.0 111.327 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -79.13 -53.82 6.61 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 171.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -91.01 -14.54 31.22 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -167.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.621 ' HD2' ' HB2' ' A' ' 52' ' ' LYS . 3.1 mmp_? -103.15 110.0 21.78 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 176.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -65.42 166.75 9.7 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.177 177.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.51 ' O ' HG13 ' A' ' 70' ' ' ILE . 24.6 p -58.26 -44.91 88.6 Favored 'General case' 0 C--O 1.213 -0.849 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.499 175.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.56 ' HA ' HD12 ' A' ' 70' ' ' ILE . 48.3 m -55.65 -33.46 64.08 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.029 0.932 . . . . 0.0 112.873 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.1 -44.13 73.08 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.567 0.747 . . . . 0.0 109.111 178.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.2 mt -73.67 -24.61 60.0 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.471 1.109 . . . . 0.0 112.524 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.56 HD12 ' HA ' ' A' ' 67' ' ' SER . 56.5 mt -72.35 -48.75 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 173.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.34 -34.65 70.87 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.963 0.789 . . . . 0.0 111.326 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.89 -53.73 19.54 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.249 0.62 . . . . 0.0 111.556 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.404 ' HD1' HD11 ' A' ' 39' ' ' LEU . 39.2 t80 -65.52 -36.95 85.32 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.003 0.521 . . . . 0.0 110.474 -178.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.548 ' HE2' HG22 ' A' ' 70' ' ' ILE . 53.6 mtmt -63.83 -52.46 60.04 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 122.759 0.424 . . . . 0.0 110.438 176.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 31.1 t70 -55.89 -39.72 71.99 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 123.784 0.677 . . . . 0.0 110.709 -177.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -60.36 -53.46 57.3 Favored 'General case' 0 C--O 1.258 1.508 0 C-N-CA 124.443 1.097 . . . . 0.0 110.606 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 84.3 m -69.7 -34.43 73.89 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 114.395 -1.275 . . . . 0.0 112.913 -176.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -79.71 -26.31 40.9 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.459 1.103 . . . . 0.0 110.21 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.453 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 3.9 t60 -65.8 -39.09 90.57 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.89 0.876 . . . . 0.0 108.865 173.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.88 42.08 2.52 Favored Glycine 0 C--N 1.346 1.103 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.7 t -43.83 150.83 0.23 Allowed 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 -171.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -58.31 -26.68 63.31 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 112.867 -1.969 . . . . 0.0 112.365 173.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.1 m -60.54 -27.18 67.45 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.94 0.896 . . . . 0.0 111.798 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 99.51 6.51 54.92 Favored Glycine 0 C--N 1.345 1.054 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.621 -177.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.7 mt -83.16 76.25 9.88 Favored 'General case' 0 C--N 1.35 0.606 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 176.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -97.82 71.43 2.21 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 174.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -132.51 152.28 51.62 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.813 -168.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.742 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 178.048 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.9 ttp . . . . . 0 N--CA 1.484 1.237 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -111.2 81.9 1.51 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.078 0.951 . . . . 0.0 109.137 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -62.55 -32.75 73.77 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.623 1.169 . . . . 0.0 110.764 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.4 t -71.12 -18.26 62.53 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.528 -176.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -73.7 -31.73 63.56 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-N 118.309 0.504 . . . . 0.0 110.806 173.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -71.19 -15.74 62.48 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.289 0.636 . . . . 0.0 111.628 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -104.43 -54.26 2.56 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.388 1.075 . . . . 0.0 109.796 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -92.82 79.4 4.71 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.741 1.216 . . . . 0.0 108.517 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.79 123.44 20.96 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.462 175.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -86.78 147.88 25.65 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 171.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.88 26.43 10.48 Favored Glycine 0 C--O 1.239 0.443 0 CA-C-N 116.602 -0.272 . . . . 0.0 112.543 -176.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -71.59 85.58 0.88 Allowed 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 170.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.81 156.96 19.15 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 176.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.37 22.99 61.56 Favored Glycine 0 C--N 1.336 0.53 0 O-C-N 123.539 0.524 . . . . 0.0 114.282 175.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.6 p -87.86 78.3 8.36 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 173.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -90.95 172.93 8.25 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.344 0.657 . . . . 0.0 110.354 -175.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.6 m -85.23 157.5 20.59 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 164.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.3 mm -59.0 -41.49 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 123.341 0.656 . . . . 0.0 111.407 -178.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.546 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 42.5 mt-10 -68.41 -34.85 76.74 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.554 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -62.63 -39.77 94.88 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 173.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 68.9 t -61.65 -56.59 16.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.436 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.546 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 9.2 pt-20 -65.25 -36.4 84.02 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -173.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -81.35 -34.24 31.91 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.03 0.206 . . . . 0.0 111.445 -177.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -101.98 -0.3 33.96 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -175.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.7 mt -61.83 122.77 16.24 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 119.085 0.857 . . . . 0.0 111.201 177.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.7 10.58 60.11 Favored Glycine 0 C--N 1.349 1.255 0 CA-C-N 115.521 -0.763 . . . . 0.0 113.826 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.4 p -100.84 -171.3 1.98 Allowed 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 117.55 0.675 . . . . 0.0 110.634 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -79.74 -28.08 40.49 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.17 0.588 . . . . 0.0 110.593 172.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -68.26 -44.24 76.03 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.514 0.725 . . . . 0.0 110.123 176.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.0 tp -144.09 93.81 5.95 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.538 177.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -62.16 152.0 78.59 Favored 'Trans proline' 0 C--N 1.362 1.274 0 C-N-CA 121.896 1.731 . . . . 0.0 110.764 164.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -57.15 -34.47 68.46 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.043 0.537 . . . . 0.0 109.968 172.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -57.76 -49.99 74.73 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.586 177.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -66.51 -33.34 75.47 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.632 0.773 . . . . 0.0 111.351 -171.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' A' ' 69' ' ' LEU . 3.5 tm? -60.68 -58.05 10.12 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.387 173.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.7 mt -59.63 -36.54 65.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.788 -177.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.8 m -58.65 -52.37 65.98 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.38 1.072 . . . . 0.0 110.177 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.455 ' HD1' HD12 ' A' ' 39' ' ' LEU . 61.8 t80 -54.58 -46.18 73.71 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.406 0.682 . . . . 0.0 110.176 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.455 HD12 ' HD1' ' A' ' 38' ' ' TYR . 9.7 mp -63.88 -42.45 97.5 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.075 -0.512 . . . . 0.0 112.327 -176.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.47 -16.51 48.56 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.669 -0.645 . . . . 0.0 112.281 -179.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.5 mtpm? -77.24 -45.52 26.2 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.712 0.405 . . . . 0.0 111.224 171.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -87.49 -45.93 10.05 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.578 -172.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.52 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . . . -77.11 157.37 31.07 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 121.118 0.485 . . . . 0.0 111.918 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -76.57 158.89 30.78 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.572 167.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.86 -29.73 42.64 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.965 0.906 . . . . 0.0 112.825 -171.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.55 -44.85 73.25 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.547 1.139 . . . . 0.0 112.145 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -64.34 -42.98 95.97 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.41 -176.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.44 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.5 mm? -73.57 -28.66 61.97 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.613 -178.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -74.32 -21.77 59.56 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.855 0.462 . . . . 0.0 111.141 174.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -76.69 -49.28 16.48 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 122.61 0.364 . . . . 0.0 110.032 172.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -93.1 9.87 34.03 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -173.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.409 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 11.6 mmpt? 64.37 20.51 12.19 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 124.547 1.139 . . . . 0.0 111.67 175.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.603 ' HA ' HD13 ' A' ' 60' ' ' ILE . 32.0 mt -89.43 1.42 55.88 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 124.026 0.93 . . . . 0.0 110.629 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.2 t -74.52 -11.98 60.36 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.068 0.947 . . . . 0.0 112.554 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -78.8 -169.51 36.44 Favored Glycine 0 C--N 1.352 1.457 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 175.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.8 t -73.97 127.53 33.11 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 117.158 0.479 . . . . 0.0 109.72 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.571 ' HA ' HD12 ' A' ' 60' ' ' ILE . 40.2 t-20 -53.25 -36.15 60.79 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.914 1.286 . . . . 0.0 112.298 -170.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -58.72 -53.05 62.69 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.342 1.057 . . . . 0.0 111.054 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.402 ' HA ' ' HE2' ' A' ' 62' ' ' LYS . 28.8 t -62.62 -42.88 99.84 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.137 178.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.603 HD13 ' HA ' ' A' ' 53' ' ' LEU . 71.2 mt -57.04 -60.42 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 O-C-N 124.077 0.86 . . . . 0.0 110.569 -176.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -60.69 -30.98 70.26 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.848 0.459 . . . . 0.0 111.982 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.402 ' HE2' ' HA ' ' A' ' 59' ' ' SER . 38.3 ttpt -68.82 -39.5 80.01 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 122.887 0.475 . . . . 0.0 111.488 175.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.405 ' N ' HD22 ' A' ' 63' ' ' ASN . 0.8 OUTLIER -90.88 -18.71 24.33 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.934 0.894 . . . . 0.0 111.884 -173.221 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.508 ' HD3' ' HG3' ' A' ' 68' ' ' GLN . 7.9 mmp_? -107.58 148.54 29.16 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.41 0.684 . . . . 0.0 110.223 -176.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -78.09 167.51 21.32 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.151 171.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.466 ' O ' HG13 ' A' ' 70' ' ' ILE . 25.1 p -57.74 -42.06 83.14 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 170.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.604 ' HA ' HD12 ' A' ' 70' ' ' ILE . 22.9 m -51.86 -37.58 52.64 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.926 1.29 . . . . 0.0 113.589 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.508 ' HG3' ' HD3' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -66.29 -46.43 77.01 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 121.241 0.543 . . . . 0.0 109.716 178.202 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.439 ' HB3' HD12 ' A' ' 35' ' ' LEU . 55.8 mt -71.93 -31.75 66.65 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.897 -173.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 67' ' ' SER . 27.8 mt -65.48 -51.35 64.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 172.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.76 -40.1 69.01 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.455 1.102 . . . . 0.0 111.539 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.39 -48.29 67.82 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.934 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.403 ' HD1' HD11 ' A' ' 39' ' ' LEU . 53.3 t80 -65.46 -30.11 70.86 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 122.827 0.451 . . . . 0.0 110.94 178.147 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -67.97 -59.65 3.11 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.89 -25.45 65.1 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.833 0.453 . . . . 0.0 111.251 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.52 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 2.8 t80 -63.36 -60.8 2.9 Favored 'General case' 0 C--O 1.255 1.381 0 C-N-CA 123.851 0.86 . . . . 0.0 110.888 174.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.522 ' HB3' ' HB3' ' A' ' 87' ' ' GLN . 74.8 m -67.99 -34.49 76.63 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.939 -176.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -73.64 -35.11 65.25 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.616 0.767 . . . . 0.0 110.944 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -67.25 -29.42 69.04 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 174.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 101.5 45.75 1.77 Allowed Glycine 0 C--N 1.346 1.107 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.89 176.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.5 t -42.01 148.09 0.2 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.284 1.434 . . . . 0.0 114.585 -173.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -65.56 -5.43 8.06 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 113.379 -1.737 . . . . 0.0 112.613 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.3 m -57.28 -30.17 64.49 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.048 0.939 . . . . 0.0 111.217 167.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 100.36 29.23 6.79 Favored Glycine 0 C--N 1.35 1.349 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.979 -171.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 83.3 mt -123.65 115.58 21.69 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.352 0.661 . . . . 0.0 110.305 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -118.43 81.29 1.66 Allowed 'General case' 0 C--O 1.241 0.632 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 164.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.522 ' HB3' ' HB3' ' A' ' 77' ' ' CYS . 8.8 tt0 -100.66 143.52 30.74 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 114.673 -1.149 . . . . 0.0 110.227 -174.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.836 0 CA-C-O 119.14 -0.811 . . . . 0.0 111.358 179.296 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.5 ttm . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -77.6 84.3 3.97 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-O 121.39 0.614 . . . . 0.0 109.838 -177.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -79.08 -36.14 41.28 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.646 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.5 m -55.82 -36.98 68.08 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.427 1.091 . . . . 0.0 112.542 -175.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.62 -7.43 47.8 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.47 1.108 . . . . 0.0 112.984 -173.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.48 -37.97 68.31 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 176.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -87.55 -33.87 18.77 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.434 173.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -96.68 45.17 1.05 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.316 1.046 . . . . 0.0 110.291 -177.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -72.16 163.28 28.19 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.273 1.029 . . . . 0.0 111.404 -179.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.82 132.47 53.98 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.18 0.592 . . . . 0.0 111.801 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.61 -52.66 4.48 Favored Glycine 0 C--N 1.345 1.037 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.804 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.446 ' HE2' ' SG ' ' A' ' 15' ' ' CYS . 86.3 tttt -88.19 95.28 10.11 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.113 0.565 . . . . 0.0 110.082 177.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.43 155.56 43.48 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 173.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 60.08 39.84 96.3 Favored Glycine 0 C--N 1.344 0.978 0 O-C-N 123.614 0.571 . . . . 0.0 113.876 174.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.446 ' SG ' ' HE2' ' A' ' 12' ' ' LYS . 13.8 p -87.2 92.49 9.08 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -98.96 175.19 6.02 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 121.529 0.68 . . . . 0.0 111.299 -172.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.2 m -96.76 163.61 12.92 Favored 'General case' 0 C--O 1.245 0.857 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.141 166.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.9 mm -55.83 -45.62 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.093 0.957 . . . . 0.0 111.329 -178.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.563 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 45.3 mt-10 -72.77 -29.79 63.59 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.11 -174.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -62.17 -46.51 88.65 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 172.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.572 ' HA ' ' HG ' ' A' ' 30' ' ' LEU . 47.4 t -57.3 -60.74 1.73 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.719 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.563 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.7 pt-20 -66.43 -43.07 86.68 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -171.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -76.7 -26.99 55.31 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.918 0.487 . . . . 0.0 111.543 -174.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -109.25 1.8 20.44 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 118.557 -0.735 . . . . 0.0 112.055 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 mt -59.78 111.46 1.46 Allowed 'General case' 0 N--CA 1.49 1.556 0 CA-C-N 119.172 0.896 . . . . 0.0 110.396 175.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.66 21.75 11.01 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 115.226 -0.897 . . . . 0.0 113.168 -174.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.1 p -119.01 -177.0 3.23 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 117.328 0.564 . . . . 0.0 109.948 172.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -72.4 -34.06 67.6 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.461 0.704 . . . . 0.0 110.84 172.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -75.41 -23.73 57.06 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.544 0.737 . . . . 0.0 111.66 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.572 ' HG ' ' HA ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -150.36 85.76 5.3 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 172.536 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -65.16 148.74 89.23 Favored 'Trans proline' 0 C--N 1.368 1.574 0 C-N-CA 122.124 1.883 . . . . 0.0 111.545 168.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.499 ' NZ ' ' SG ' ' A' ' 66' ' ' CYS . 49.1 mttm -61.63 -36.75 81.67 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.027 173.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -63.88 -50.92 66.87 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 124.015 0.822 . . . . 0.0 109.339 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -59.85 -35.02 73.88 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.717 1.207 . . . . 0.0 111.692 -177.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.524 HD12 ' HB3' ' A' ' 69' ' ' LEU . 3.1 tm? -64.47 -56.21 15.67 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.531 0.732 . . . . 0.0 109.739 175.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.1 mt -59.6 -36.29 64.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 C-N-CA 123.983 0.913 . . . . 0.0 111.062 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 99.5 m -63.96 -50.32 69.08 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.899 0.88 . . . . 0.0 109.869 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -56.0 -42.65 76.73 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.355 0.662 . . . . 0.0 110.598 177.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.37 -45.01 89.59 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.569 -178.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.467 ' HA ' HD21 ' A' ' 48' ' ' LEU . 1.4 pt20 -77.74 -17.39 57.62 Favored 'General case' 0 N--CA 1.484 1.225 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -81.47 -51.32 8.41 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.641 0.376 . . . . 0.0 111.168 173.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -90.42 -33.04 16.17 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.528 0.731 . . . . 0.0 112.596 -168.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.37 165.94 16.82 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 117.915 0.325 . . . . 0.0 110.963 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -77.61 155.8 31.23 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.549 0.739 . . . . 0.0 109.551 177.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.42 -32.64 68.86 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.271 0.628 . . . . 0.0 111.512 -176.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.45 -41.01 72.3 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.511 1.124 . . . . 0.0 111.991 175.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -66.48 -37.65 85.55 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.973 0.909 . . . . 0.0 110.956 -176.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.467 HD21 ' HA ' ' A' ' 40' ' ' GLN . 1.6 mm? -77.0 -32.3 57.11 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.515 0.326 . . . . 0.0 110.836 178.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -78.1 -13.22 59.95 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.805 0.442 . . . . 0.0 110.854 175.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -81.45 -49.64 10.39 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.447 1.099 . . . . 0.0 110.321 171.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -91.01 0.99 57.41 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.51 0.724 . . . . 0.0 112.318 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm 63.84 27.52 14.55 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.763 1.225 . . . . 0.0 111.524 177.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.436 ' HA ' HD13 ' A' ' 60' ' ' ILE . 22.1 mt -85.92 1.43 50.03 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.024 172.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.4 t -65.87 -21.1 66.44 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.65 1.18 . . . . 0.0 112.408 176.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.59 -171.17 29.81 Favored Glycine 0 C--N 1.349 1.292 0 CA-C-N 116.499 -0.319 . . . . 0.0 113.34 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.0 t -74.68 133.55 42.08 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.557 ' HA ' HD12 ' A' ' 60' ' ' ILE . 39.4 t-20 -57.44 -34.15 68.65 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.081 0.952 . . . . 0.0 111.745 -170.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -54.81 -54.92 35.9 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.869 0.868 . . . . 0.0 110.168 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.2 m -68.27 -25.85 65.37 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.863 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 57' ' ' ASN . 55.5 mt -73.05 -60.77 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 178.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 8.1 ptm180 -62.58 -16.36 55.94 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.301 0.641 . . . . 0.0 112.266 -178.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -87.23 -52.49 5.37 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 122.297 0.239 . . . . 0.0 111.553 173.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.84 -49.16 14.83 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 123.076 0.55 . . . . 0.0 110.943 -173.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.87 142.99 47.94 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 172.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -94.43 -178.65 4.65 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 172.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.499 ' SG ' ' NZ ' ' A' ' 32' ' ' LYS . 87.0 m -59.41 -39.82 84.66 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.942 0.497 . . . . 0.0 111.795 -177.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.9 m -54.04 -38.89 65.68 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -174.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -65.06 -40.95 95.46 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 122.768 0.427 . . . . 0.0 111.478 176.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.524 ' HB3' HD12 ' A' ' 35' ' ' LEU . 44.4 mt -74.49 -36.07 63.24 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.927 -174.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 66' ' ' CYS . 49.3 mt -64.82 -53.91 36.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 174.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.58 -35.87 77.14 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 114.499 -1.228 . . . . 0.0 111.381 -176.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.36 -44.96 81.75 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.085 0.554 . . . . 0.0 111.268 175.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -64.44 -37.59 88.06 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 122.32 0.248 . . . . 0.0 110.443 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.527 ' O ' ' HG2' ' A' ' 78' ' ' GLU . 9.4 mtpm? -62.98 -59.1 5.28 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.792 0.837 . . . . 0.0 109.409 177.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 1.4 m-20 -54.24 -33.74 59.1 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.126 0.97 . . . . 0.0 111.816 -178.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -66.89 -52.14 46.88 Favored 'General case' 0 C--O 1.256 1.418 0 C-N-CA 123.504 0.722 . . . . 0.0 110.558 176.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.4 ' HA ' HG22 ' A' ' 81' ' ' THR . 71.0 m -63.37 -26.04 68.57 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.093 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 8.2 mm-40 -90.72 -27.79 18.72 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.68 0.792 . . . . 0.0 110.965 179.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.432 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 19.9 t60 -78.36 -16.27 57.85 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.189 0.596 . . . . 0.0 110.838 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 106.22 49.26 0.94 Allowed Glycine 0 C--N 1.352 1.425 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.946 178.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.4 HG22 ' HA ' ' A' ' 77' ' ' CYS . 1.5 t -41.12 121.95 1.68 Allowed 'General case' 0 CA--C 1.56 1.343 0 C-N-CA 124.832 1.253 . . . . 0.0 113.597 177.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -80.96 6.75 12.43 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 114.795 -1.093 . . . . 0.0 112.491 -175.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.5 ' HB2' ' HG ' ' A' ' 85' ' ' LEU . 12.8 m -67.92 -14.09 62.68 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.86 0.864 . . . . 0.0 112.195 175.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 95.88 16.93 37.04 Favored Glycine 0 C--N 1.351 1.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.182 -177.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.5 ' HG ' ' HB2' ' A' ' 83' ' ' SER . 46.7 mt -76.53 -38.72 54.65 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.087 0.555 . . . . 0.0 110.259 178.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -107.86 97.74 7.42 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 173.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -87.45 102.55 14.66 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.966 0 CA-C-O 118.695 -1.058 . . . . 0.0 112.066 -175.336 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -87.44 87.87 7.53 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 175.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -73.54 -17.86 61.15 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 121.097 0.475 . . . . 0.0 110.132 172.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.4 m -96.36 29.92 2.71 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.537 1.135 . . . . 0.0 109.949 174.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -60.31 -38.0 82.33 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.347 1.059 . . . . 0.0 113.037 -175.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -41.71 71.29 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.536 0.334 . . . . 0.0 110.937 -171.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -77.82 -26.08 49.28 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.825 0.45 . . . . 0.0 110.975 178.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -130.07 45.22 2.84 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.545 0.738 . . . . 0.0 109.943 -168.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -76.95 140.62 40.52 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 121.211 0.529 . . . . 0.0 111.046 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -121.84 145.26 48.24 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 106.78 -1.563 . . . . 0.0 106.78 175.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.97 1.47 48.7 Favored Glycine 0 N--CA 1.472 1.034 0 N-CA-C 111.669 -0.572 . . . . 0.0 111.669 -169.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -78.02 121.96 24.92 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 174.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.19 173.15 10.75 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.847 0.859 . . . . 0.0 109.382 -174.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.46 24.78 53.08 Favored Glycine 0 C--N 1.341 0.826 0 N-CA-C 114.631 0.612 . . . . 0.0 114.631 173.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.449 ' SG ' HD21 ' A' ' 85' ' ' LEU . 41.2 t -80.06 84.41 5.79 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 174.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 -95.06 -179.25 4.75 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.324 0.649 . . . . 0.0 110.43 -177.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.8 m -91.81 160.49 15.29 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 165.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 74' ' ' LYS . 45.9 mm -57.63 -43.66 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 123.497 0.498 . . . . 0.0 109.745 174.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.572 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 48.9 mt-10 -68.12 -37.05 80.7 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.13 -179.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -62.79 -42.97 99.94 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.4 t -58.6 -63.15 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.539 175.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.572 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.3 pt-20 -63.33 -42.08 98.94 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -169.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -75.89 -37.65 58.61 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.031 0.533 . . . . 0.0 111.333 -174.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -96.87 -0.05 48.39 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 118.789 -0.624 . . . . 0.0 112.134 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.535 HD22 ' HG2' ' A' ' 32' ' ' LYS . 6.3 mt -58.78 119.97 8.11 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 118.694 0.679 . . . . 0.0 110.95 177.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.11 -23.89 26.18 Favored Glycine 0 C--N 1.34 0.801 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.435 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.2 p -78.74 170.1 17.19 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -72.21 -17.01 61.95 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.95 0.5 . . . . 0.0 110.771 174.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -74.17 -36.38 64.07 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.668 0.787 . . . . 0.0 110.774 179.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -147.45 80.48 9.13 Favored Pre-proline 0 N--CA 1.475 0.794 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.449 ' HG2' ' HB2' ' A' ' 34' ' ' ASP . 39.5 Cg_endo -68.74 146.82 67.82 Favored 'Trans proline' 0 C--N 1.373 1.822 0 C-N-CA 121.791 1.661 . . . . 0.0 111.192 174.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.707 ' HD3' ' SG ' ' A' ' 66' ' ' CYS . 56.2 mtmt -56.63 -39.59 73.92 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.249 1.02 . . . . 0.0 111.128 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -55.75 -45.16 78.09 Favored 'General case' 0 CA--C 1.553 1.064 0 O-C-N 124.191 0.932 . . . . 0.0 110.876 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.449 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 0.3 OUTLIER -64.98 -37.85 89.01 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 123.666 0.786 . . . . 0.0 111.523 -178.775 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.541 HD23 ' HB3' ' A' ' 69' ' ' LEU . 54.8 tp -60.97 -56.21 23.81 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.258 0.552 . . . . 0.0 109.926 177.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.434 HG22 ' NE2' ' A' ' 40' ' ' GLN . 60.3 mt -54.3 -40.04 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 114.558 -1.201 . . . . 0.0 111.165 178.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.6 m -58.88 -49.96 75.82 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 124.083 0.865 . . . . 0.0 110.685 176.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.454 ' HD2' HD12 ' A' ' 39' ' ' LEU . 66.9 t80 -56.12 -48.1 76.84 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 123.684 0.615 . . . . 0.0 110.414 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.454 HD12 ' HD2' ' A' ' 38' ' ' TYR . 10.7 mp -63.96 -43.34 96.07 Favored 'General case' 0 C--O 1.207 -1.142 0 O-C-N 123.852 0.72 . . . . 0.0 111.704 -176.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.434 ' NE2' HG22 ' A' ' 36' ' ' ILE . 1.4 pt20 -75.96 -19.03 59.07 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 121.55 -0.719 . . . . 0.0 112.218 -178.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -79.12 -49.29 12.84 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 123.125 0.266 . . . . 0.0 111.134 172.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.404 HD22 ' N ' ' A' ' 42' ' ' ASN . 1.0 OUTLIER -84.78 -45.27 12.53 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.335 0.254 . . . . 0.0 110.818 -171.678 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.422 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . . . -77.93 152.11 33.38 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.733 0.413 . . . . 0.0 111.19 178.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -75.71 156.8 34.34 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 124.121 0.969 . . . . 0.0 109.203 174.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.16 -31.66 32.32 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.9 0.88 . . . . 0.0 113.229 -169.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.12 79.39 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.549 1.14 . . . . 0.0 112.335 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.409 ' HE2' HD23 ' A' ' 39' ' ' LEU . 59.1 t80 -63.45 -40.65 97.71 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.467 -177.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.483 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.7 mm? -75.68 -29.9 59.19 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.616 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 -76.38 -14.76 60.06 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.746 0.419 . . . . 0.0 110.895 174.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -78.34 -58.54 3.2 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.241 0.616 . . . . 0.0 109.504 169.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -86.16 4.97 36.14 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.337 0.655 . . . . 0.0 112.709 -173.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.28 22.98 5.22 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 125.053 1.341 . . . . 0.0 112.087 175.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.489 ' HA ' HD13 ' A' ' 60' ' ' ILE . 18.2 mt -90.97 7.46 40.15 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.834 0.853 . . . . 0.0 111.462 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -82.9 -16.42 47.59 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -173.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.32 -146.4 7.58 Favored Glycine 0 N--CA 1.479 1.522 0 CA-C-O 120.176 -0.235 . . . . 0.0 112.817 -175.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.9 t -80.29 126.44 31.14 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 173.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.467 ' HA ' HD12 ' A' ' 60' ' ' ILE . 32.3 t-20 -58.71 -27.05 64.51 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.876 0.87 . . . . 0.0 111.857 -171.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -61.32 -52.58 64.08 Favored 'General case' 0 C--O 1.249 1.069 0 C-N-CA 123.843 0.857 . . . . 0.0 111.627 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -67.33 -26.24 66.4 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.43 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.489 HD13 ' HA ' ' A' ' 53' ' ' LEU . 45.9 mt -78.64 -52.74 15.02 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.943 0 C-N-CA 122.635 0.374 . . . . 0.0 110.631 -178.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -58.68 -34.45 71.29 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.591 -0.693 . . . . 0.0 111.198 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -78.19 -55.09 5.54 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.797 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -90.82 -33.43 15.69 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.281 0.632 . . . . 0.0 112.535 -167.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -78.21 119.57 21.78 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -60.11 146.6 42.53 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 123.812 0.695 . . . . 0.0 111.271 -174.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.707 ' SG ' ' HD3' ' A' ' 32' ' ' LYS . 20.6 m -54.83 -42.01 71.4 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 123.863 0.727 . . . . 0.0 110.197 177.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.476 ' HA ' HD12 ' A' ' 70' ' ' ILE . 17.0 m -55.87 -40.33 72.77 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.38 1.072 . . . . 0.0 111.941 176.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -68.83 -36.82 78.67 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.528 0.731 . . . . 0.0 110.5 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.541 ' HB3' HD23 ' A' ' 35' ' ' LEU . 72.0 mt -70.09 -39.71 75.39 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.859 0.864 . . . . 0.0 111.197 -179.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 67' ' ' SER . 28.2 mt -58.27 -51.8 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 172.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.23 -35.88 67.85 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 124.42 1.075 . . . . 0.0 111.448 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.34 -54.26 26.61 Favored 'General case' 0 CA--C 1.552 1.05 0 O-C-N 123.631 0.582 . . . . 0.0 111.341 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.43 ' HB2' HD11 ' A' ' 35' ' ' LEU . 77.1 t80 -62.37 -35.61 79.71 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 123.511 0.724 . . . . 0.0 111.148 178.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.496 ' HA ' HD12 ' A' ' 18' ' ' ILE . 33.4 ttmt -67.61 -50.12 59.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.688 -1.142 . . . . 0.0 108.496 -174.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.87 -31.37 72.52 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.021 -1.445 . . . . 0.0 111.242 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 7.3 t80 -64.1 -51.58 63.33 Favored 'General case' 0 C--O 1.252 1.222 0 C-N-CA 124.155 0.982 . . . . 0.0 110.89 178.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 86' ' ' ASN . 69.5 m -65.99 -41.62 90.86 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.88 179.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -66.87 -30.34 70.49 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.395 0.678 . . . . 0.0 110.947 176.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -69.17 -30.95 69.28 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.617 0.767 . . . . 0.0 110.375 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.43 ' HA2' ' HB2' ' A' ' 86' ' ' ASN . . . 103.08 44.6 1.72 Allowed Glycine 0 C--N 1.344 1.021 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.715 177.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.5 t -44.26 150.75 0.28 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.849 1.259 . . . . 0.0 113.892 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -64.57 -10.8 28.64 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.453 1.101 . . . . 0.0 112.23 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.2 m -69.01 -13.23 62.33 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.498 1.119 . . . . 0.0 112.059 173.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 97.04 -1.94 61.28 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 116.487 -0.324 . . . . 0.0 113.365 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.449 HD21 ' SG ' ' A' ' 15' ' ' CYS . 84.3 mt -85.55 114.98 22.98 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.041 0.536 . . . . 0.0 109.707 179.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.472 ' HA ' ' O ' ' A' ' 77' ' ' CYS . 4.5 t-20 -153.65 127.69 8.99 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.195 0.598 . . . . 0.0 110.785 173.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -128.23 119.49 25.3 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 107.513 -1.292 . . . . 0.0 107.513 169.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.081 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 -177.234 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 ptp . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 120.704 0.287 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.22 90.68 2.84 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 175.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -93.31 -10.65 34.7 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.078 0.551 . . . . 0.0 111.921 -178.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.8 t -75.75 -0.87 22.45 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.125 0.57 . . . . 0.0 112.092 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.609 ' HA ' ' HB3' ' A' ' 8' ' ' LYS . 1.6 m-20 -66.91 0.95 2.13 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.072 0.949 . . . . 0.0 112.682 175.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -51.06 -62.91 1.32 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.936 0.894 . . . . 0.0 110.147 164.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -92.1 -37.2 12.9 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.052 0.541 . . . . 0.0 110.314 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.609 ' HB3' ' HA ' ' A' ' 5' ' ' ASP . 22.6 ttmt -63.48 -8.6 9.79 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 124.414 1.086 . . . . 0.0 112.31 -178.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -42.99 124.42 3.16 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.439 1.496 . . . . 0.0 113.906 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -88.88 148.06 24.05 Favored 'General case' 0 C--O 1.246 0.915 0 CA-C-N 114.486 -1.234 . . . . 0.0 108.469 173.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.11 37.67 59.8 Favored Glycine 0 C--N 1.339 0.718 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -167.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.585 ' HE2' ' HB3' ' A' ' 83' ' ' SER . 4.5 ttmp? -63.52 111.78 2.49 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 124.516 1.126 . . . . 0.0 110.222 -175.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.6 ptm -63.85 162.14 14.17 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.899 177.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.96 20.82 79.09 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 115.532 0.973 . . . . 0.0 115.532 167.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.9 m -82.69 81.06 8.61 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 175.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.488 ' CE2' HD21 ' A' ' 30' ' ' LEU . 2.7 m-90 -100.18 170.9 8.14 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.208 0.603 . . . . 0.0 110.597 -178.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.7 m -82.34 156.19 24.37 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.1 164.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.597 HD12 ' HG2' ' A' ' 74' ' ' LYS . 45.6 mm -54.37 -40.4 48.42 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 C-N-CA 123.854 0.862 . . . . 0.0 110.885 177.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.61 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 38.2 mt-10 -70.66 -37.7 73.73 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.685 -178.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -61.6 -42.68 99.21 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-N 118.36 0.527 . . . . 0.0 109.632 176.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.8 t -56.31 -62.99 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.237 175.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.61 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 13.1 pt-20 -65.41 -35.89 82.29 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -169.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -78.46 -41.99 31.12 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.324 0.39 . . . . 0.0 110.842 -176.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -93.38 -6.84 46.28 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -175.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 25' ' ' LEU . 7.0 mt -62.91 115.99 4.88 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 118.909 0.777 . . . . 0.0 110.8 178.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 119.8 -16.14 10.33 Favored Glycine 0 C--N 1.344 0.978 0 CA-C-N 115.255 -0.884 . . . . 0.0 112.301 -178.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.3 p -94.01 -178.51 4.67 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.383 0.673 . . . . 0.0 110.53 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.95 -26.44 54.02 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.957 0.503 . . . . 0.0 110.399 170.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -66.44 -40.05 89.26 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.43 0.692 . . . . 0.0 111.068 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.488 HD21 ' CE2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -139.89 88.16 12.2 Favored Pre-proline 0 N--CA 1.472 0.654 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 172.695 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.572 ' HG2' ' HB2' ' A' ' 34' ' ' ASP . 35.5 Cg_endo -67.56 143.63 63.47 Favored 'Trans proline' 0 C--N 1.368 1.58 0 C-N-CA 121.917 1.745 . . . . 0.0 111.161 173.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -58.6 -32.11 68.67 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.236 1.015 . . . . 0.0 110.478 174.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.43 -53.88 48.25 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.104 173.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.572 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 8.9 t70 -68.67 -28.78 67.18 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.437 0.695 . . . . 0.0 111.568 -172.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 39' ' ' LEU . 2.7 tm? -62.28 -57.44 11.37 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 173.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.454 HG22 ' NE2' ' A' ' 40' ' ' GLN . 65.5 mt -60.63 -34.45 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.437 -179.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.0 m -61.63 -47.52 85.02 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.283 1.033 . . . . 0.0 110.33 176.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.541 ' HD1' HD12 ' A' ' 39' ' ' LEU . 62.3 t80 -54.5 -49.52 69.96 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 176.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.541 HD12 ' HD1' ' A' ' 38' ' ' TYR . 11.1 mp -65.32 -40.0 93.16 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.883 -174.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.454 ' NE2' HG22 ' A' ' 36' ' ' ILE . 0.9 OUTLIER -78.24 -18.23 55.64 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.329 -0.857 . . . . 0.0 112.051 179.462 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -78.38 -52.66 8.25 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.624 0.37 . . . . 0.0 111.495 173.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -93.2 -36.26 12.71 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -168.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 39' ' ' LEU . . . -84.11 154.03 23.4 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 177.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.09 155.78 39.91 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.742 0.817 . . . . 0.0 109.396 175.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.457 ' HA ' HD23 ' A' ' 48' ' ' LEU . . . -57.04 -28.04 62.19 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.579 0.752 . . . . 0.0 112.206 -171.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.12 -42.89 77.56 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.145 0.978 . . . . 0.0 112.141 177.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -65.14 -38.17 89.77 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.537 0.735 . . . . 0.0 110.407 -177.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.544 HD12 ' HB2' ' A' ' 53' ' ' LEU . 2.2 mm? -72.92 -31.96 64.99 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.248 178.165 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -71.57 -24.17 61.87 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.082 0.553 . . . . 0.0 111.016 174.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -75.68 -49.92 16.91 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.097 0.559 . . . . 0.0 110.748 176.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -94.21 9.23 38.79 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -174.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.412 ' HG3' ' NH2' ' A' ' 64' ' ' ARG . 11.6 mmpt? 68.28 20.49 8.74 Favored 'General case' 0 N--CA 1.497 1.922 0 C-N-CA 124.963 1.305 . . . . 0.0 111.834 176.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.616 ' HA ' HD13 ' A' ' 60' ' ' ILE . 21.5 mt -89.08 0.69 56.49 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 123.904 0.882 . . . . 0.0 111.596 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.8 t -75.13 -12.88 60.4 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 123.933 0.893 . . . . 0.0 113.005 -178.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -86.66 -151.55 19.56 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-O 120.212 -0.215 . . . . 0.0 113.174 -177.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.2 t -80.31 122.4 26.86 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.019 0.527 . . . . 0.0 110.032 175.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.464 ' HA ' HD12 ' A' ' 60' ' ' ILE . 37.3 t-20 -55.72 -30.38 61.08 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 124.292 1.037 . . . . 0.0 112.091 -170.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.07 -54.22 47.35 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.669 0.788 . . . . 0.0 111.373 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.0 m -65.74 -34.3 77.87 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.107 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.616 HD13 ' HA ' ' A' ' 53' ' ' LEU . 59.6 mt -67.21 -52.17 45.68 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.209 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.826 -178.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -67.88 -21.66 65.15 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 118.371 0.532 . . . . 0.0 111.1 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -67.85 -51.53 47.29 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.39 0.676 . . . . 0.0 111.722 173.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -82.62 -52.67 6.59 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 121.54 0.686 . . . . 0.0 110.81 -178.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.53 ' HD2' ' HG2' ' A' ' 68' ' ' GLN . 20.2 mmt180 -87.41 96.25 10.3 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.058 178.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -89.96 -163.14 0.96 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.197 0.599 . . . . 0.0 109.799 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.469 ' O ' HG13 ' A' ' 70' ' ' ILE . 20.8 p -45.92 -59.32 2.89 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.208 1.003 . . . . 0.0 113.592 -170.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.525 ' HA ' HD12 ' A' ' 70' ' ' ILE . 11.0 m -51.32 -44.43 61.96 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 124.266 1.026 . . . . 0.0 113.1 -172.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.53 ' HG2' ' HD2' ' A' ' 64' ' ' ARG . 23.5 tp60 -64.46 -43.35 94.51 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.556 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.425 ' HB3' HD12 ' A' ' 35' ' ' LEU . 80.5 mt -75.31 -28.9 59.87 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.714 -174.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 67' ' ' SER . 19.2 mt -68.91 -46.14 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 173.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.38 -36.85 76.55 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.863 0.865 . . . . 0.0 111.793 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.56 -47.45 48.02 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.411 0.684 . . . . 0.0 111.519 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -61.44 -45.33 94.74 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.627 0.771 . . . . 0.0 110.234 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.597 ' HG2' HD12 ' A' ' 18' ' ' ILE . 58.0 mtmt -60.28 -51.37 69.85 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.792 175.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -51.47 -40.95 60.5 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.382 0.673 . . . . 0.0 111.551 -175.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -67.97 -55.1 13.95 Favored 'General case' 0 C--O 1.261 1.664 0 CA-C-O 121.63 0.728 . . . . 0.0 110.081 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 41.8 t -58.4 -31.44 67.69 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 114.52 -1.218 . . . . 0.0 112.274 -177.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 18.4 mm-40 -91.69 -29.47 16.83 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.155 0.982 . . . . 0.0 110.807 -177.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.67 -22.27 66.62 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 123.1 0.56 . . . . 0.0 110.811 176.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.47 45.33 1.56 Allowed Glycine 0 C--N 1.345 1.068 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.7 t -41.06 122.15 1.71 Allowed 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.689 1.596 . . . . 0.0 113.885 -171.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -60.26 -52.33 65.72 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 113.99 -1.459 . . . . 0.0 111.321 178.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.585 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . 46.5 m 52.12 13.96 0.31 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.716 1.206 . . . . 0.0 114.164 177.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 56.71 24.43 48.2 Favored Glycine 0 C--N 1.35 1.347 0 C-N-CA 123.421 0.534 . . . . 0.0 114.118 -173.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 87.4 mt -113.86 -68.45 0.93 Allowed 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -178.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -130.32 104.53 7.33 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.828 0.851 . . . . 0.0 108.826 -176.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.15 137.25 41.56 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 177.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.617 0 CA-C-O 119.552 -0.582 . . . . 0.0 113.019 -179.081 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.5 tpt . . . . . 0 N--CA 1.488 1.455 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.75 121.28 42.84 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.058 0.543 . . . . 0.0 110.145 173.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -100.42 16.46 24.46 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.752 0.821 . . . . 0.0 109.768 174.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.1 m -68.74 -36.22 78.1 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.326 0.65 . . . . 0.0 111.194 178.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.675 ' HA ' ' HB2' ' A' ' 8' ' ' LYS . 5.8 m-20 -99.74 24.28 8.56 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.78 0.832 . . . . 0.0 112.071 176.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -73.28 -49.38 27.94 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.965 0.506 . . . . 0.0 109.898 177.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -90.36 -27.01 19.64 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.628 0.771 . . . . 0.0 109.76 175.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.675 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 0.4 OUTLIER -86.32 10.27 15.4 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.633 1.173 . . . . 0.0 110.942 -176.189 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -54.27 144.03 21.44 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.146 1.378 . . . . 0.0 112.176 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -70.24 150.26 46.61 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.241 0.616 . . . . 0.0 110.4 177.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.05 40.51 1.96 Allowed Glycine 0 C--N 1.342 0.889 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -166.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.578 ' HE3' HD23 ' A' ' 85' ' ' LEU . 4.0 mptp? -64.54 95.07 0.13 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.003 0.921 . . . . 0.0 109.99 -176.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.36 144.84 56.87 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.219 177.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.21 16.3 80.67 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 115.073 0.789 . . . . 0.0 115.073 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.0 t -86.75 78.73 9.04 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 177.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -90.38 177.62 6.34 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.929 0.892 . . . . 0.0 111.391 -173.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.3 m -83.24 154.87 23.97 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.042 165.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 43.9 mm -58.79 -43.19 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 123.175 0.59 . . . . 0.0 110.79 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.572 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 40.7 mt-10 -69.83 -32.6 71.1 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.64 -179.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -64.97 -42.72 94.31 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 175.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.0 t -56.47 -63.11 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.209 175.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.572 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.1 pt-20 -62.82 -43.94 97.48 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -170.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -74.9 -32.9 61.95 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 122.733 0.413 . . . . 0.0 111.166 -174.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -96.49 -6.13 37.91 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 118.506 -0.759 . . . . 0.0 112.411 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.433 HD22 ' HG2' ' A' ' 32' ' ' LYS . 11.2 mt -61.51 113.89 2.93 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 119.252 0.933 . . . . 0.0 111.527 177.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.98 -15.6 25.88 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.919 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.4 p -79.41 172.5 13.71 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 117.181 0.491 . . . . 0.0 110.672 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -68.2 -29.58 68.47 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.026 171.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -71.24 -33.96 70.33 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.824 0.85 . . . . 0.0 111.922 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.11 81.95 7.95 Favored Pre-proline 0 N--CA 1.476 0.83 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 178.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.441 ' HG2' ' HB2' ' A' ' 34' ' ' ASP . 29.5 Cg_endo -64.32 151.6 84.78 Favored 'Trans proline' 0 C--N 1.367 1.53 0 C-N-CA 122.207 1.938 . . . . 0.0 111.358 171.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' HG2' HD22 ' A' ' 25' ' ' LEU . 54.4 mtmt -60.14 -36.12 76.81 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.305 0.642 . . . . 0.0 111.039 176.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -49.78 -43.19 48.1 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.12 0.968 . . . . 0.0 111.397 174.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.441 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 31.7 t70 -73.27 -34.92 66.06 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.362 1.065 . . . . 0.0 111.993 -172.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.563 ' HB3' HD23 ' A' ' 69' ' ' LEU . 2.8 tm? -64.31 -48.59 75.04 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 174.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.531 HG23 ' HB3' ' A' ' 53' ' ' LEU . 81.3 mt -57.8 -39.82 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.711 177.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.8 m -62.67 -46.9 86.04 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.864 0.865 . . . . 0.0 111.158 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -58.08 -46.33 85.64 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.3 mp -62.64 -44.2 96.87 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.376 -177.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.448 ' HA ' HD21 ' A' ' 48' ' ' LEU . 1.4 pt20 -73.94 -18.8 60.84 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -178.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -79.91 -55.04 5.26 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 122.425 0.29 . . . . 0.0 111.302 173.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -85.85 -20.42 29.14 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -168.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.51 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . . . -92.85 173.77 7.58 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.545 0.688 . . . . 0.0 112.114 174.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.88 157.13 18.54 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 114.031 -1.441 . . . . 0.0 108.366 167.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.61 -28.2 44.9 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.884 0.874 . . . . 0.0 112.976 -173.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.82 -41.25 77.49 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.425 1.09 . . . . 0.0 112.612 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -65.24 -36.93 85.65 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.669 0.788 . . . . 0.0 110.794 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.462 HD12 ' HB2' ' A' ' 53' ' ' LEU . 2.1 mm? -79.83 -30.24 40.35 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.649 -177.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -69.3 -30.94 69.12 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 172.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -66.78 -56.94 8.21 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.907 0.883 . . . . 0.0 110.846 177.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -85.16 4.09 36.04 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.153 0.581 . . . . 0.0 112.112 -177.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 69.38 23.12 6.25 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 125.133 1.373 . . . . 0.0 111.755 175.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.531 ' HB3' HG23 ' A' ' 36' ' ' ILE . 22.0 mt -86.92 9.74 18.41 Favored 'General case' 0 CA--C 1.564 1.501 0 C-N-CA 124.683 1.193 . . . . 0.0 111.693 177.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -79.4 -4.85 52.99 Favored 'General case' 0 CA--C 1.565 1.524 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -92.33 -140.97 9.88 Favored Glycine 0 N--CA 1.487 2.091 0 CA-C-O 120.072 -0.293 . . . . 0.0 113.554 -176.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.5 t -95.97 125.75 40.74 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 170.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.489 ' HA ' HD12 ' A' ' 60' ' ' ILE . 4.7 m-20 -51.85 -25.19 7.32 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 124.449 1.1 . . . . 0.0 113.691 -171.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 61' ' ' ARG . 14.2 tmtt? -66.8 -56.09 11.97 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.831 0.852 . . . . 0.0 110.62 177.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.9 m -72.88 -27.61 62.01 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.826 -177.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.521 HD13 ' HA ' ' A' ' 53' ' ' LEU . 70.1 mt -64.66 -59.51 4.08 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.127 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 173.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 15.2 ptt180 -59.88 -25.78 65.35 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 122.884 0.474 . . . . 0.0 111.108 -175.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.06 -53.63 35.88 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 122.841 0.456 . . . . 0.0 110.119 171.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -85.13 1.43 47.95 Favored 'General case' 0 N--CA 1.499 1.977 0 C-N-CA 123.391 0.676 . . . . 0.0 112.321 -178.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.56 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -132.48 97.27 4.04 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -176.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -69.03 171.91 7.48 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.397 0.679 . . . . 0.0 110.947 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.511 ' O ' HG13 ' A' ' 70' ' ' ILE . 24.1 p -52.82 -43.65 66.12 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.77 179.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.425 ' HA ' HD12 ' A' ' 70' ' ' ILE . 46.1 m -47.33 -51.78 18.4 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.659 1.184 . . . . 0.0 112.638 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -44.29 96.31 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.605 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.563 HD23 ' HB3' ' A' ' 35' ' ' LEU . 11.1 mp -69.7 -32.37 70.92 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.787 0.835 . . . . 0.0 112.889 -178.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 66' ' ' CYS . 30.1 mt -66.41 -53.63 34.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 177.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.04 -32.94 71.38 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 124.424 1.077 . . . . 0.0 111.683 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.49 -50.02 64.64 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.261 0.625 . . . . 0.0 111.679 176.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -68.35 -32.62 72.85 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.637 0.775 . . . . 0.0 110.611 -178.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -65.4 -59.74 3.7 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.57 -26.79 56.18 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 124.119 0.968 . . . . 0.0 112.081 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.51 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 4.5 t80 -68.57 -58.53 4.15 Favored 'General case' 0 C--O 1.252 1.187 0 C-N-CA 124.028 0.931 . . . . 0.0 110.58 177.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.41 ' HA ' HG22 ' A' ' 81' ' ' THR . 35.1 t -70.02 -25.5 63.6 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.492 -176.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -86.4 -25.11 25.46 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.015 0.926 . . . . 0.0 110.851 178.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -67.56 -27.79 67.24 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 168.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.82 45.75 1.87 Allowed Glycine 0 C--N 1.347 1.175 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.41 HG22 ' HA ' ' A' ' 77' ' ' CYS . 3.7 t -41.31 141.54 0.68 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.097 1.359 . . . . 0.0 113.889 -172.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.465 ' HD2' ' HA3' ' A' ' 88' ' ' GLY . 46.2 mtmt -57.92 -66.23 0.51 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.001 177.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.6 m 50.57 20.31 0.7 Allowed 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.716 1.206 . . . . 0.0 113.178 -177.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.671 ' HA2' ' HG3' ' A' ' 8' ' ' LYS . . . 66.5 17.74 66.97 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 114.878 0.711 . . . . 0.0 114.878 -175.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.578 HD23 ' HE3' ' A' ' 12' ' ' LYS . 70.9 mt -77.2 -30.64 54.81 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.054 0.941 . . . . 0.0 109.911 175.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -136.9 -177.49 4.77 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.395 1.078 . . . . 0.0 110.328 -177.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -62.42 134.11 55.98 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.399 1.079 . . . . 0.0 110.416 175.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.465 ' HA3' ' HD2' ' A' ' 82' ' ' LYS . . . . . . . . 0 CA--C 1.532 1.126 0 CA-C-O 118.79 -1.006 . . . . 0.0 112.652 -177.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.2 ttp . . . . . 0 N--CA 1.483 1.209 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.493 ' HE2' ' HB3' ' A' ' 4' ' ' SER . 22.0 tptm -86.52 87.69 7.49 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.81 -31.74 72.79 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.165 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.493 ' HB3' ' HE2' ' A' ' 2' ' ' LYS . 40.5 t -57.76 -39.64 77.86 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.725 1.21 . . . . 0.0 111.73 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.518 ' HA ' ' HB3' ' A' ' 8' ' ' LYS . 1.6 m-20 -99.52 20.13 14.44 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -176.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -70.88 -56.82 5.43 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 121.268 0.556 . . . . 0.0 110.081 177.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.27 -17.19 23.92 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.172 0.989 . . . . 0.0 110.425 176.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.518 ' HB3' ' HA ' ' A' ' 5' ' ' ASP . 40.8 tttm -90.99 65.35 5.61 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 167.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -54.67 132.63 45.94 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.136 -175.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -132.9 155.44 49.06 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.906 0.883 . . . . 0.0 109.616 -170.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.04 39.7 9.15 Favored Glycine 0 C--N 1.348 1.216 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -173.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.543 ' HE3' ' HG ' ' A' ' 85' ' ' LEU . 61.1 mttm -65.04 122.11 16.26 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.003 0.921 . . . . 0.0 110.503 -174.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.4 ptm -96.74 163.84 12.83 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.28 178.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.498 ' HA2' ' CZ2' ' A' ' 16' ' ' TRP . . . 78.51 17.09 78.34 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 114.446 -1.252 . . . . 0.0 115.867 166.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.2 m -90.13 80.2 6.34 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 117.505 0.652 . . . . 0.0 109.571 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.498 ' CZ2' ' HA2' ' A' ' 14' ' ' GLY . 2.9 m-90 -100.25 173.71 6.48 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.009 0.924 . . . . 0.0 109.61 178.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.6 m -82.65 159.66 22.62 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 168.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.534 HD12 ' HG2' ' A' ' 74' ' ' LYS . 49.3 mm -60.69 -47.9 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 123.073 0.549 . . . . 0.0 111.156 -176.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.633 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 48.7 mt-10 -68.8 -30.61 69.22 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.439 -177.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -62.53 -44.94 95.13 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 174.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.7 t -59.42 -62.16 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.829 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.633 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 13.5 pt-20 -63.79 -35.12 79.57 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 112.7 0.629 . . . . 0.0 112.7 -169.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -77.97 -45.44 23.88 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 122.437 0.295 . . . . 0.0 111.042 -178.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -84.43 -8.53 58.94 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.47 -175.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mt -63.71 119.27 9.6 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 118.178 0.445 . . . . 0.0 109.973 174.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.86 -21.65 11.09 Favored Glycine 0 C--N 1.338 0.655 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.501 -177.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.7 p -84.56 -176.74 6.37 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 171.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -96.69 -8.29 31.83 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 109.965 -0.384 . . . . 0.0 109.965 171.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -68.95 -46.3 68.55 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.37 82.88 62.1 Favored Pre-proline 0 N--CA 1.477 0.88 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 168.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.68 148.38 46.91 Favored 'Trans proline' 0 C--N 1.368 1.571 0 C-N-CA 121.609 1.539 . . . . 0.0 110.732 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -56.06 -40.26 73.28 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.59 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -57.19 -43.34 82.62 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.005 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.424 ' HA ' ' HB ' ' A' ' 37' ' ' THR . 26.2 t70 -78.65 -24.55 45.13 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -173.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.83 -51.0 53.52 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 173.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.9 mt -59.4 -39.01 78.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.235 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.424 ' HB ' ' HA ' ' A' ' 34' ' ' ASP . 16.2 m -58.63 -46.69 86.54 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 124.424 1.077 . . . . 0.0 110.684 175.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -55.3 -48.59 73.87 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 123.401 0.438 . . . . 0.0 110.172 176.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.8 mt -64.09 -40.17 95.64 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.669 -174.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.517 ' HA ' HD21 ' A' ' 48' ' ' LEU . 1.4 pt20 -81.36 -18.56 45.19 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -178.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -78.75 -55.43 5.18 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 120.899 0.381 . . . . 0.0 110.821 172.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -89.2 -18.65 26.69 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -165.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.49 175.24 5.54 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 118.565 0.621 . . . . 0.0 112.003 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -81.84 161.04 23.34 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.924 0.889 . . . . 0.0 110.212 175.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.29 -33.69 67.92 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.361 0.665 . . . . 0.0 110.717 177.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.86 -41.58 70.99 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.504 1.122 . . . . 0.0 112.071 177.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -66.93 -38.98 87.2 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.855 0.862 . . . . 0.0 110.592 -176.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.517 HD21 ' HA ' ' A' ' 40' ' ' GLN . 1.9 mm? -70.38 -45.02 66.84 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.107 178.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -60.31 -31.11 69.96 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.112 0.565 . . . . 0.0 110.973 176.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -69.3 -46.84 66.19 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.242 1.017 . . . . 0.0 110.718 177.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -96.59 13.11 29.29 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.168 0.587 . . . . 0.0 112.339 -178.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt 63.8 21.91 12.85 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 124.519 1.128 . . . . 0.0 112.424 175.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.495 ' HB2' HD12 ' A' ' 48' ' ' LEU . 13.4 mt -91.31 16.89 9.17 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 124.646 1.178 . . . . 0.0 111.378 178.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.3 t -81.71 -16.58 50.76 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.133 0.573 . . . . 0.0 112.438 -176.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.83 -168.58 39.59 Favored Glycine 0 N--CA 1.483 1.768 0 CA-C-O 119.823 -0.432 . . . . 0.0 112.558 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.2 t -71.59 136.28 47.34 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 117.685 0.742 . . . . 0.0 110.131 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.586 ' HA ' HD12 ' A' ' 60' ' ' ILE . 35.9 t-20 -59.03 -28.03 66.04 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.39 1.076 . . . . 0.0 112.042 -169.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -65.59 -48.53 72.0 Favored 'General case' 0 C--O 1.252 1.232 0 C-N-CA 123.621 0.768 . . . . 0.0 110.744 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.5 t -64.71 -37.81 88.85 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.176 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.586 HD12 ' HA ' ' A' ' 57' ' ' ASN . 56.8 mt -65.05 -50.94 72.08 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 C-N-CA 122.926 0.491 . . . . 0.0 110.568 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -65.13 -21.73 66.83 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.519 0.328 . . . . 0.0 110.97 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.19 -59.47 2.69 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 170.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -76.09 -44.3 39.43 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.043 0.449 . . . . 0.0 111.027 -169.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.62 124.28 28.0 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.753 0.821 . . . . 0.0 109.089 172.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -86.94 -179.05 6.44 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.224 174.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.452 ' O ' HG13 ' A' ' 70' ' ' ILE . 26.1 p -52.13 -43.51 64.04 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.797 0.839 . . . . 0.0 110.944 178.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.6 m -49.86 -46.38 51.38 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.92 1.288 . . . . 0.0 113.025 -176.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -65.62 -40.26 92.38 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.278 0.631 . . . . 0.0 111.071 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.2 mp -70.61 -37.79 73.9 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.739 -1.118 . . . . 0.0 111.394 -177.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.552 HG22 ' HE2' ' A' ' 74' ' ' LYS . 47.2 mt -66.89 -47.57 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.87 90.21 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.716 0.806 . . . . 0.0 111.439 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.58 -44.22 71.24 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.508 0.723 . . . . 0.0 112.262 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -67.8 -45.07 75.81 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 122.75 0.42 . . . . 0.0 110.102 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.552 ' HE2' HG22 ' A' ' 70' ' ' ILE . 55.0 mtmt -59.52 -46.7 88.09 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.982 175.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.566 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 35.7 t70 -53.75 -49.58 67.88 Favored 'General case' 0 C--O 1.195 -1.814 0 O-C-N 124.267 0.979 . . . . 0.0 109.805 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -63.62 -48.99 75.05 Favored 'General case' 0 C--O 1.251 1.162 0 C-N-CA 124.969 1.308 . . . . 0.0 111.715 -175.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 71.2 m -58.27 -40.74 82.68 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.282 0.633 . . . . 0.0 111.057 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -82.98 -22.72 33.6 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.113 0.965 . . . . 0.0 111.485 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.566 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 0.6 OUTLIER -73.73 -25.13 60.05 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 124.633 1.173 . . . . 0.0 110.239 -178.036 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 106.69 48.8 0.94 Allowed Glycine 0 C--N 1.346 1.132 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.546 -172.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.6 t -40.43 135.42 1.51 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.178 1.391 . . . . 0.0 113.516 -176.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -112.17 36.7 3.25 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.33 -167.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.4 m -44.65 -19.14 0.02 OUTLIER 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 125.438 1.495 . . . . 0.0 113.816 174.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.72 32.45 0.51 Allowed Glycine 0 C--N 1.352 1.417 0 C-N-CA 123.008 0.337 . . . . 0.0 113.513 169.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.543 ' HG ' ' HE3' ' A' ' 12' ' ' LYS . 95.8 mt -126.74 -62.13 1.15 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.826 1.251 . . . . 0.0 107.89 171.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -84.9 142.43 29.7 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.097 176.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -85.11 116.25 23.38 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 172.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.178 0 CA-C-O 119.013 -0.882 . . . . 0.0 111.433 177.036 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -128.31 92.47 3.45 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.1 0.96 . . . . 0.0 108.839 176.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -100.16 -27.69 13.4 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.52 0.728 . . . . 0.0 111.104 -172.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.7 t -68.38 -54.49 16.88 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.976 0.511 . . . . 0.0 110.546 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.455 ' HA ' ' HB3' ' A' ' 8' ' ' LYS . 5.0 p-10 -79.49 -1.28 36.81 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.688 0.795 . . . . 0.0 112.071 178.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -64.92 -59.0 4.67 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.935 0.894 . . . . 0.0 110.726 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -78.91 -22.97 45.09 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.152 178.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.455 ' HB3' ' HA ' ' A' ' 5' ' ' ASP . 55.6 tttm -82.08 -7.87 59.64 Favored 'General case' 0 CA--C 1.56 1.335 0 C-N-CA 123.862 0.865 . . . . 0.0 110.924 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.439 ' HG2' HD22 ' A' ' 10' ' ' ASN . 36.8 tt0 -65.08 154.42 37.92 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.342 1.057 . . . . 0.0 111.202 179.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.439 HD22 ' HG2' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -56.84 154.23 9.64 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.494 0.717 . . . . 0.0 110.815 172.13 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.75 38.56 4.64 Favored Glycine 0 N--CA 1.468 0.797 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -169.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -65.25 126.91 29.64 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.603 1.161 . . . . 0.0 110.853 -177.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.24 148.34 8.69 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.368 1.067 . . . . 0.0 111.704 -174.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.26 35.3 53.15 Favored Glycine 0 C--N 1.338 0.674 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.523 -176.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.8 p -95.17 89.34 5.49 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -96.96 176.2 6.05 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.338 0.655 . . . . 0.0 110.363 -174.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.7 m -85.75 157.51 20.25 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.58 0.752 . . . . 0.0 109.143 170.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.562 HD12 ' HG2' ' A' ' 74' ' ' LYS . 46.8 mm -61.22 -49.45 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 123.049 0.54 . . . . 0.0 110.593 -178.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.623 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 50.4 mt-10 -72.37 -24.16 61.23 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.95 -178.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -63.13 -51.6 65.83 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 170.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.3 t -55.58 -58.45 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.692 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.623 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.8 pt-20 -64.43 -44.04 92.41 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -173.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -77.59 -22.91 50.17 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.896 0.478 . . . . 0.0 112.069 -174.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -102.5 -7.78 21.61 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 118.849 -0.596 . . . . 0.0 111.519 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.3 mt -59.34 113.4 2.15 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 118.71 0.686 . . . . 0.0 111.254 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.52 -2.08 21.92 Favored Glycine 0 C--N 1.343 0.924 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.957 -178.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.8 p -102.17 -173.52 2.36 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 117.606 0.703 . . . . 0.0 110.547 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -79.77 -27.12 40.47 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.669 0.788 . . . . 0.0 110.246 171.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -74.29 -32.89 63.07 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.674 0.789 . . . . 0.0 111.509 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -151.41 83.71 5.37 Favored Pre-proline 0 N--CA 1.474 0.729 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 173.877 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.98 156.64 38.72 Favored 'Trans proline' 0 CA--C 1.547 1.159 0 C-N-CA 122.081 1.854 . . . . 0.0 111.59 172.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -56.19 -44.99 79.97 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.833 0.853 . . . . 0.0 111.465 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -61.0 -41.64 96.91 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.492 0.717 . . . . 0.0 111.689 -176.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -63.46 -40.65 97.7 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.559 0.744 . . . . 0.0 111.327 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.465 HD11 ' HB2' ' A' ' 73' ' ' TYR . 57.8 tp -60.48 -55.76 29.55 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.388 175.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.471 HG22 ' NE2' ' A' ' 40' ' ' GLN . 66.5 mt -51.91 -39.24 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 124.511 1.124 . . . . 0.0 111.243 177.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.5 m -63.07 -48.34 79.07 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.091 0.956 . . . . 0.0 111.313 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -56.83 -43.9 81.53 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 176.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.439 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 9.3 mp -64.67 -38.94 92.7 Favored 'General case' 0 C--O 1.212 -0.875 0 C-N-CA 123.18 0.592 . . . . 0.0 111.508 -176.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.471 ' NE2' HG22 ' A' ' 36' ' ' ILE . 1.1 pt20 -83.55 -19.09 36.26 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.885 -0.509 . . . . 0.0 112.133 -179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -81.12 -44.14 18.37 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 120.566 0.222 . . . . 0.0 110.8 174.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -91.11 -40.79 11.4 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.902 0.481 . . . . 0.0 111.884 -172.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 39' ' ' LEU . . . -86.48 156.8 19.97 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 121.02 0.438 . . . . 0.0 111.291 179.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -80.23 162.59 24.56 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.768 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.63 -37.94 43.3 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 124.255 1.022 . . . . 0.0 112.729 -174.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.2 -42.71 77.62 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.282 1.033 . . . . 0.0 112.439 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -64.33 -43.45 94.62 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.291 -176.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.461 HD21 ' HA ' ' A' ' 40' ' ' GLN . 1.5 mm? -69.43 -36.51 76.73 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.424 179.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -67.4 -28.14 67.67 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.472 0.309 . . . . 0.0 111.418 176.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -73.96 -56.26 5.16 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.547 0.739 . . . . 0.0 110.07 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -86.13 11.83 10.98 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.344 0.658 . . . . 0.0 112.428 -175.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.43 ' HE3' ' HA ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER 70.91 19.97 5.55 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 125.121 1.368 . . . . 0.0 111.97 171.343 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.4 mt -90.74 4.18 52.29 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.283 1.033 . . . . 0.0 111.743 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -72.46 -14.59 61.72 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -177.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -81.63 -171.04 45.05 Favored Glycine 0 C--N 1.347 1.19 0 N-CA-C 112.405 -0.278 . . . . 0.0 112.405 175.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.6 t -74.45 138.3 43.17 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 177.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.516 ' HA ' HD12 ' A' ' 60' ' ' ILE . 4.1 m-20 -57.18 -26.01 59.92 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.156 0.982 . . . . 0.0 112.935 -175.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -56.82 -55.0 40.01 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.91 0.884 . . . . 0.0 110.017 175.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.0 m -65.36 -39.18 92.01 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.409 -1.269 . . . . 0.0 111.237 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 57' ' ' ASN . 31.3 mt -66.69 -53.06 38.73 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 123.165 0.291 . . . . 0.0 111.111 -175.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 9.2 ptm180 -64.61 -40.39 95.41 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.3 0.24 . . . . 0.0 110.774 -178.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -74.12 -43.62 56.84 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 122.515 0.326 . . . . 0.0 111.088 -173.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -82.26 -53.74 5.81 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -176.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.441 HH11 ' HA ' ' A' ' 60' ' ' ILE . 2.9 mpt_? -80.59 126.85 31.77 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.881 -173.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -73.21 178.32 4.53 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.229 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.424 ' O ' HG13 ' A' ' 70' ' ' ILE . 26.6 p -60.93 -44.12 97.67 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 122.809 0.444 . . . . 0.0 112.002 -174.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.504 ' HA ' HD12 ' A' ' 70' ' ' ILE . 50.1 m -54.67 -37.62 65.96 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -173.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -58.97 -46.01 89.13 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.858 0.837 . . . . 0.0 110.519 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.453 ' HB3' HD23 ' A' ' 35' ' ' LEU . 41.2 mt -78.13 -33.43 50.45 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 114.186 -1.37 . . . . 0.0 111.064 -172.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 67' ' ' SER . 43.1 mt -63.21 -50.43 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 173.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.88 -38.6 76.05 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.159 0.984 . . . . 0.0 111.19 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.3 -48.52 67.4 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.051 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.465 ' HB2' HD11 ' A' ' 35' ' ' LEU . 85.5 t80 -63.25 -44.66 94.54 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 122.9 0.48 . . . . 0.0 110.826 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.562 ' HG2' HD12 ' A' ' 18' ' ' ILE . 53.8 mtmt -57.74 -54.01 51.72 Favored 'General case' 0 C--O 1.208 -1.12 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.544 177.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 30.8 t70 -54.29 -45.09 72.45 Favored 'General case' 0 C--O 1.205 -1.274 0 O-C-N 124.213 0.946 . . . . 0.0 111.373 -176.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.64 -51.33 70.37 Favored 'General case' 0 C--O 1.253 1.245 0 C-N-CA 124.337 1.055 . . . . 0.0 110.689 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.686 ' SG ' ' HB2' ' A' ' 87' ' ' GLN . 48.2 t -61.28 -44.02 97.91 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 114.136 -1.393 . . . . 0.0 110.94 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -75.06 -24.24 58.2 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 125.411 1.485 . . . . 0.0 110.869 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.436 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 60.0 t60 -75.78 -19.38 59.04 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.301 1.041 . . . . 0.0 108.971 176.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.88 43.83 2.19 Favored Glycine 0 C--N 1.35 1.31 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 171.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.9 t -42.8 143.26 0.74 Allowed 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 115.427 1.64 . . . . 0.0 115.427 -163.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -63.05 -11.44 19.51 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 113.09 -1.868 . . . . 0.0 112.7 177.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.4 m -60.23 -35.71 76.07 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.068 0.947 . . . . 0.0 111.351 171.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.04 10.16 8.37 Favored Glycine 0 C--N 1.35 1.344 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.703 -175.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.8 mt -106.51 84.2 1.98 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.328 0.651 . . . . 0.0 110.096 -178.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -85.88 74.93 10.08 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 171.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.686 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . 14.2 mm-40 -125.12 148.98 48.31 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.282 -173.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 119.094 -0.837 . . . . 0.0 111.017 -176.865 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.9 tmm? . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -141.68 105.39 4.71 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.835 0.854 . . . . 0.0 109.21 175.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -94.94 -21.09 18.86 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.592 0.757 . . . . 0.0 109.142 167.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.5 m -71.01 -39.49 72.37 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.776 0.83 . . . . 0.0 111.897 -174.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -65.67 -22.5 66.64 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 123.552 0.741 . . . . 0.0 111.792 -176.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -57.39 -43.89 84.06 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.454 1.102 . . . . 0.0 110.453 173.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.412 ' HB3' ' HD2' ' A' ' 82' ' ' LYS . 30.2 mm-40 -91.63 -29.48 16.87 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.322 0.649 . . . . 0.0 110.637 178.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -118.24 73.18 0.89 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.654 1.182 . . . . 0.0 108.862 -174.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -67.46 148.7 51.19 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.701 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -105.42 152.89 22.42 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 173.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.9 38.34 19.89 Favored Glycine 0 C--N 1.344 1.01 0 N-CA-C 111.781 -0.528 . . . . 0.0 111.781 -173.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -68.63 107.21 2.88 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.474 1.11 . . . . 0.0 111.589 -171.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -74.16 175.29 7.66 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.983 0.913 . . . . 0.0 110.64 175.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.24 23.03 46.08 Favored Glycine 0 C--N 1.346 1.116 0 N-CA-C 116.084 1.193 . . . . 0.0 116.084 164.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.2 m -88.23 90.96 8.6 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 177.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -102.41 173.04 6.53 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.777 0.831 . . . . 0.0 110.22 -176.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.2 m -86.72 164.92 16.46 Favored 'General case' 0 C--O 1.247 0.928 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 162.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.4 mm -59.47 -40.55 82.08 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 122.992 0.517 . . . . 0.0 110.557 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.524 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 46.4 mt-10 -61.11 -41.69 97.15 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.803 0.841 . . . . 0.0 112.777 -177.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -61.58 -41.44 97.4 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 118.407 0.549 . . . . 0.0 110.366 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.68 -60.95 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.993 177.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.524 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 10.7 pt-20 -65.93 -27.36 68.12 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -170.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -89.65 -38.02 14.21 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 122.329 0.252 . . . . 0.0 111.506 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -102.04 2.34 37.56 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.593 0.357 . . . . 0.0 111.784 -173.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.543 HD22 ' HG2' ' A' ' 32' ' ' LYS . 2.3 mt -65.03 120.53 12.8 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 120.805 0.336 . . . . 0.0 111.205 178.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.89 -21.12 16.49 Favored Glycine 0 C--N 1.339 0.719 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.849 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.0 p -89.86 -179.73 5.79 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.235 0.614 . . . . 0.0 109.816 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -80.14 -17.08 53.47 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.729 0.412 . . . . 0.0 110.408 173.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -71.3 -33.21 69.5 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.984 0.914 . . . . 0.0 110.47 177.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -151.32 85.99 4.86 Favored Pre-proline 0 N--CA 1.476 0.85 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 172.154 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.4 150.11 87.37 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 122.352 2.035 . . . . 0.0 112.071 173.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.543 ' HG2' HD22 ' A' ' 25' ' ' LEU . 55.8 mtmt -60.46 -37.84 82.3 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.294 172.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -65.99 -46.34 78.36 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.505 0.722 . . . . 0.0 109.871 -176.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.37 -40.29 93.76 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.422 1.089 . . . . 0.0 111.123 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.487 HD23 ' HB3' ' A' ' 69' ' ' LEU . 53.9 tp -62.46 -52.94 61.55 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.996 176.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.5 mt -55.11 -37.91 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 124.185 0.994 . . . . 0.0 111.294 176.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 86.9 m -66.57 -47.81 71.61 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.488 0.715 . . . . 0.0 110.303 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -56.98 -42.7 80.69 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.031 0.532 . . . . 0.0 110.299 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.56 -47.69 82.73 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.074 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.418 ' HA ' HD21 ' A' ' 48' ' ' LEU . 1.5 pt20 -74.03 -18.42 60.84 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -84.19 -40.45 18.13 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 175.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.401 HD22 ' N ' ' A' ' 42' ' ' ASN . 1.1 m-80 -96.23 -20.35 18.63 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -172.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.547 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . . . -90.07 170.47 10.3 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.779 0.8 . . . . 0.0 112.366 174.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -86.54 158.35 19.55 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 113.983 -1.462 . . . . 0.0 108.741 164.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.0 -28.85 64.79 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.532 0.733 . . . . 0.0 112.678 -169.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.53 -40.86 69.07 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.382 1.073 . . . . 0.0 112.25 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -63.38 -39.69 95.2 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.556 -176.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.452 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.3 mm? -79.21 -27.82 42.54 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.212 -177.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -76.37 -18.25 58.98 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.002 0.521 . . . . 0.0 110.738 173.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -78.51 -60.41 2.38 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 171.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -82.71 9.35 9.81 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.473 0.709 . . . . 0.0 112.433 -175.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? 65.34 21.56 11.97 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 124.326 1.05 . . . . 0.0 111.682 174.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.523 ' HA ' HD13 ' A' ' 60' ' ' ILE . 26.2 mt -86.01 5.96 30.99 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 123.881 0.872 . . . . 0.0 111.211 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.9 t -85.34 -6.46 59.23 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.185 0.594 . . . . 0.0 112.371 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.83 -152.36 7.44 Favored Glycine 0 C--N 1.354 1.545 0 N-CA-C 112.392 -0.283 . . . . 0.0 112.392 176.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.5 t -90.61 127.08 36.16 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 174.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.489 ' HA ' HD12 ' A' ' 60' ' ' ILE . 4.9 m-20 -54.03 -28.24 37.15 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 124.08 0.952 . . . . 0.0 113.344 -170.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -59.8 -55.36 35.23 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 123.564 0.746 . . . . 0.0 110.911 176.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 96.0 p -68.19 -43.51 77.96 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.055 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.523 HD13 ' HA ' ' A' ' 53' ' ' LEU . 69.7 mt -54.24 -52.07 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.827 0.851 . . . . 0.0 111.372 -177.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.1 ptt85 -70.96 -27.1 63.49 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.443 0.464 . . . . 0.0 110.728 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -72.05 -33.29 67.84 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 122.318 0.247 . . . . 0.0 111.365 178.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -86.33 -37.54 18.38 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.675 0.39 . . . . 0.0 110.611 179.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 87.6 mtt-85 -97.89 125.12 42.63 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.195 0.598 . . . . 0.0 110.755 -178.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -78.23 -178.01 5.44 Favored 'General case' 0 C--O 1.248 1.009 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.344 171.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.424 ' O ' HG13 ' A' ' 70' ' ' ILE . 62.2 m -56.89 -43.45 81.34 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.12 -176.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.8 m -54.45 -43.05 71.31 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 124.093 0.957 . . . . 0.0 113.536 -171.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -63.47 -39.45 94.49 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.545 0.738 . . . . 0.0 111.676 178.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.487 ' HB3' HD23 ' A' ' 35' ' ' LEU . 58.1 mt -81.77 -29.98 32.55 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.107 -173.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.437 HG22 ' HD2' ' A' ' 74' ' ' LYS . 77.3 mt -59.22 -57.27 12.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 167.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.9 -33.65 70.77 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.445 1.098 . . . . 0.0 111.685 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.82 -48.28 74.96 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.174 0.59 . . . . 0.0 111.016 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.465 ' HB2' HD11 ' A' ' 35' ' ' LEU . 71.9 t80 -68.02 -33.43 74.59 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 122.919 0.488 . . . . 0.0 111.358 -179.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HD2' HG22 ' A' ' 70' ' ' ILE . 59.4 mtpt -66.45 -55.89 13.56 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -55.87 -32.82 64.02 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.083 0.953 . . . . 0.0 111.251 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.547 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 5.8 t80 -66.16 -51.39 58.31 Favored 'General case' 0 C--O 1.253 1.288 0 C-N-CA 125.207 1.403 . . . . 0.0 111.309 178.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 86' ' ' ASN . 44.2 t -66.42 -44.54 82.63 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.686 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -66.48 -29.04 69.07 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.017 0.927 . . . . 0.0 110.868 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -67.55 -35.26 78.71 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.878 0.871 . . . . 0.0 110.081 174.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.38 45.67 2.31 Favored Glycine 0 C--N 1.346 1.126 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.116 177.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.1 t -42.83 155.57 0.05 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 125.05 1.34 . . . . 0.0 114.356 -176.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.412 ' HD2' ' HB3' ' A' ' 7' ' ' GLU . 49.7 mtmt -65.29 -13.73 59.11 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.967 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.3 t -66.68 -26.47 67.05 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 122.933 0.493 . . . . 0.0 110.787 170.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 102.0 4.91 50.89 Favored Glycine 0 N--CA 1.468 0.77 0 CA-C-N 116.516 -0.311 . . . . 0.0 112.704 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.6 mt -78.23 113.66 16.4 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 174.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.528 ' HA ' ' O ' ' A' ' 77' ' ' CYS . 2.5 t-20 -144.6 13.13 1.53 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.936 0.894 . . . . 0.0 109.875 176.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -77.2 96.78 4.61 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.898 0.879 . . . . 0.0 109.989 -172.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 CA-C-O 118.916 -0.935 . . . . 0.0 110.922 176.736 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.485 1.309 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -125.81 88.87 2.93 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 121.812 0.815 . . . . 0.0 110.904 -178.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -78.79 -26.73 44.44 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.599 177.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.3 p -62.64 -34.36 76.91 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.4 1.08 . . . . 0.0 111.323 176.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.78 -16.54 50.63 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.794 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -75.88 -38.82 57.47 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 173.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -68.72 -61.25 1.89 Allowed 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.733 174.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.442 ' HA ' HD23 ' A' ' 85' ' ' LEU . 5.0 ttmp? -88.28 69.89 9.13 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 177.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -89.97 143.91 26.38 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.51 -1.223 . . . . 0.0 111.176 -174.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -92.55 159.17 15.62 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.73 1.212 . . . . 0.0 109.275 174.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.07 41.63 7.01 Favored Glycine 0 C--N 1.343 0.942 0 C-N-CA 121.28 -0.486 . . . . 0.0 112.782 175.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.547 ' HD2' HD11 ' A' ' 85' ' ' LEU . 19.4 mtpp -62.67 116.28 5.04 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.285 0.634 . . . . 0.0 110.511 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.426 ' SD ' ' HD3' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -66.74 127.34 32.08 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 123.6 0.563 . . . . 0.0 109.498 175.306 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.73 42.7 97.05 Favored Glycine 0 CA--C 1.528 0.854 0 O-C-N 124.009 0.818 . . . . 0.0 114.725 173.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.2 t -79.1 93.65 5.2 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 172.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -103.45 -178.77 3.76 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.19 0.596 . . . . 0.0 110.271 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.4 m -104.65 164.56 11.68 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.644 0.778 . . . . 0.0 109.484 166.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.5 mm -55.54 -42.3 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 123.81 0.844 . . . . 0.0 111.092 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.604 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 40.1 mt-10 -70.86 -35.76 72.53 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.153 -175.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -62.56 -42.96 99.87 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-O 121.414 0.626 . . . . 0.0 109.529 173.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.3 t -60.92 -57.52 11.7 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.722 178.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.604 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.9 pt-20 -63.97 -39.1 93.37 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.247 0.619 . . . . 0.0 112.318 -172.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -78.52 -37.0 44.12 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.299 -175.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -100.69 -5.03 27.11 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -173.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.507 HD22 ' HG2' ' A' ' 32' ' ' LYS . 3.4 mt -63.24 117.49 6.65 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-N 118.779 0.718 . . . . 0.0 111.37 -179.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.15 -17.39 22.01 Favored Glycine 0 C--N 1.344 1.017 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.559 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.8 p -83.15 -176.44 6.33 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 122.89 0.476 . . . . 0.0 109.997 176.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -90.19 -4.34 57.3 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.611 0.364 . . . . 0.0 110.571 171.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -79.67 -41.99 25.71 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.398 0.679 . . . . 0.0 109.692 173.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.68 85.81 29.67 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 172.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -69.08 145.7 61.93 Favored 'Trans proline' 0 C--N 1.367 1.504 0 C-N-CA 121.776 1.651 . . . . 0.0 111.112 174.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.507 ' HG2' HD22 ' A' ' 25' ' ' LEU . 54.4 mtmt -58.16 -38.46 76.68 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.698 0.799 . . . . 0.0 111.086 -178.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -54.33 -48.42 71.41 Favored 'General case' 0 N--CA 1.478 0.925 0 O-C-N 123.857 0.723 . . . . 0.0 111.513 175.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -69.85 -29.82 67.15 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.385 0.674 . . . . 0.0 111.535 -172.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.481 HD12 ' HB3' ' A' ' 69' ' ' LEU . 2.4 tm? -62.96 -52.62 62.3 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 172.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.466 HG12 HD22 ' A' ' 53' ' ' LEU . 70.5 mt -56.43 -39.28 60.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 CA-C-N 114.677 -1.147 . . . . 0.0 111.131 176.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 76.1 m -64.76 -48.82 73.14 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.853 0.861 . . . . 0.0 109.99 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -53.85 -48.65 69.78 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.069 0.548 . . . . 0.0 110.444 177.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.72 -39.55 93.84 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.632 -174.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -77.35 -18.25 57.56 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.896 -0.502 . . . . 0.0 112.088 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HD3' ' SD ' ' A' ' 13' ' ' MET . 31.0 mtpp -84.59 -34.81 23.09 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.536 0.334 . . . . 0.0 111.872 173.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -99.25 -22.28 15.69 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -172.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.91 179.62 4.28 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.128 0.571 . . . . 0.0 111.43 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -100.33 161.51 13.55 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.195 0.998 . . . . 0.0 109.843 175.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.48 -37.05 36.53 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 124.327 1.051 . . . . 0.0 113.601 -172.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.13 -42.38 80.81 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.019 0.928 . . . . 0.0 112.137 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -63.98 -39.42 94.08 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.487 -176.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.444 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.7 mm? -76.21 -34.23 59.26 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.711 -178.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -70.89 -22.27 62.29 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 116.82 -0.173 . . . . 0.0 111.069 175.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -73.82 -57.95 3.63 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.681 0.792 . . . . 0.0 109.978 173.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -85.72 9.77 15.43 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -173.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.493 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 11.2 mmpt? 70.05 19.99 6.63 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 124.739 1.215 . . . . 0.0 111.87 174.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.524 ' HA ' HD13 ' A' ' 60' ' ' ILE . 22.2 mt -90.3 4.08 51.78 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 124.461 1.104 . . . . 0.0 111.862 -178.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.3 t -78.37 -20.14 51.88 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -177.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -83.37 -154.04 16.18 Favored Glycine 0 C--N 1.35 1.356 0 O-C-N 123.164 0.29 . . . . 0.0 113.698 -173.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.416 ' O ' HG13 ' A' ' 60' ' ' ILE . 2.6 t -78.28 123.28 26.78 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 171.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.547 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.8 m-20 -54.31 -26.79 31.43 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.091 0.956 . . . . 0.0 112.911 -175.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -55.76 -56.61 18.47 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.436 0.695 . . . . 0.0 110.83 172.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.1 m -72.24 -29.17 63.67 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.332 -177.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 57' ' ' ASN . 62.7 mt -66.81 -51.11 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 123.141 0.276 . . . . 0.0 110.56 -178.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 12.5 ptt180 -73.39 -25.57 60.62 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 117.786 0.266 . . . . 0.0 111.426 178.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -67.93 -45.57 73.94 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.768 0.427 . . . . 0.0 111.1 174.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.15 -40.43 23.99 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.449 0.699 . . . . 0.0 110.883 -176.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -105.27 116.54 32.12 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.014 -175.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -77.56 -174.16 3.27 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.184 0.593 . . . . 0.0 110.668 177.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.427 ' O ' HG13 ' A' ' 70' ' ' ILE . 22.5 p -49.71 -49.23 48.64 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.168 0.987 . . . . 0.0 111.946 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.1 m -53.72 -41.63 67.21 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.9 1.28 . . . . 0.0 113.114 -172.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -62.01 -46.91 87.12 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 123.66 0.6 . . . . 0.0 110.404 177.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.481 ' HB3' HD12 ' A' ' 35' ' ' LEU . 57.0 mt -76.37 -25.83 55.03 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.524 -173.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 66' ' ' CYS . 73.0 mt -66.76 -52.89 40.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 171.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.62 -29.92 69.54 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.862 0.865 . . . . 0.0 111.962 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.42 -51.12 31.77 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.315 0.646 . . . . 0.0 110.961 177.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -65.44 -37.14 86.0 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.459 0.703 . . . . 0.0 110.369 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.457 ' O ' ' HG2' ' A' ' 78' ' ' GLU . 57.2 mtpt -60.95 -59.73 4.91 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.797 0.839 . . . . 0.0 109.488 176.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -56.28 -33.93 65.98 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 123.955 0.785 . . . . 0.0 111.287 -176.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -64.83 -56.5 13.07 Favored 'General case' 0 C--O 1.252 1.187 0 C-N-CA 123.86 0.864 . . . . 0.0 110.768 177.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.421 ' HA ' HG22 ' A' ' 81' ' ' THR . 74.4 m -62.67 -34.71 77.67 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.023 -178.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 16.0 mm-40 -81.64 -30.11 32.92 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.713 0.805 . . . . 0.0 110.773 -178.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -71.2 -22.15 62.05 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.018 0.527 . . . . 0.0 110.117 175.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.83 48.35 1.18 Allowed Glycine 0 C--N 1.347 1.189 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.24 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.421 HG22 ' HA ' ' A' ' 77' ' ' CYS . 1.0 OUTLIER -37.97 123.76 1.11 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.625 1.57 . . . . 0.0 113.459 -174.065 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -60.35 -66.02 0.59 Allowed 'General case' 0 C--O 1.239 0.549 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.843 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.8 t 53.81 22.69 3.36 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 124.109 0.964 . . . . 0.0 111.112 -167.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.04 -14.74 10.01 Favored Glycine 0 CA--C 1.542 1.727 0 C-N-CA 123.385 0.516 . . . . 0.0 114.127 -173.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.547 HD11 ' HD2' ' A' ' 12' ' ' LYS . 22.7 mt -77.36 -64.14 1.21 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.963 0.905 . . . . 0.0 110.282 -172.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -102.0 162.9 12.56 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.248 1.019 . . . . 0.0 110.019 178.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -148.82 98.06 2.8 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.073 0.949 . . . . 0.0 108.466 172.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.637 0 CA-C-O 118.852 -0.971 . . . . 0.0 112.678 178.237 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -85.72 92.89 8.72 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -65.76 -33.1 75.09 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.968 177.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.5 t -73.28 -1.34 17.54 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 124.759 1.224 . . . . 0.0 112.823 -177.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.43 -20.97 62.04 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.752 0.821 . . . . 0.0 110.882 173.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.47 ' N ' ' HE2' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -80.31 -13.26 59.33 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.919 0.488 . . . . 0.0 110.854 173.805 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -94.4 -40.87 9.7 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.497 0.719 . . . . 0.0 109.406 171.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -95.64 81.05 3.46 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 177.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.516 ' HB2' ' HD2' ' A' ' 12' ' ' LYS . 19.5 mm-40 -62.68 149.55 43.32 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 113.744 -1.571 . . . . 0.0 111.982 177.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -126.81 155.67 42.5 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.291 1.037 . . . . 0.0 109.698 -177.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.09 17.04 68.09 Favored Glycine 0 C--N 1.344 0.983 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.718 -177.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.516 ' HD2' ' HB2' ' A' ' 9' ' ' GLU . 47.7 mtpt -80.48 85.75 5.88 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.86 155.48 16.76 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.513 -178.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.38 46.65 68.67 Favored Glycine 0 CA--C 1.526 0.743 0 O-C-N 123.332 0.395 . . . . 0.0 113.912 175.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.5 p -84.28 88.73 7.25 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 174.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 -90.54 171.73 9.2 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.355 0.662 . . . . 0.0 111.8 -171.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.2 m -78.05 158.47 29.18 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.578 166.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.453 HD11 ' SG ' ' A' ' 77' ' ' CYS . 49.6 mm -60.15 -42.48 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 174.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.628 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 43.8 mt-10 -70.75 -31.61 68.49 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.148 -178.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -63.81 -44.74 92.37 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.3 t -59.75 -62.09 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.539 177.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.628 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 12.5 pt-20 -59.76 -40.15 87.19 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -171.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -76.34 -45.3 32.76 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.584 -175.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -90.8 -2.05 57.81 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 118.913 -0.565 . . . . 0.0 111.845 -173.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.92 112.85 2.22 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 118.345 0.52 . . . . 0.0 111.064 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.84 -9.56 23.4 Favored Glycine 0 C--N 1.345 1.047 0 CA-C-N 115.744 -0.662 . . . . 0.0 113.543 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.1 p -91.08 -174.64 4.05 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 117.67 0.735 . . . . 0.0 111.268 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -74.57 -25.64 59.42 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.544 0.738 . . . . 0.0 110.938 170.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -77.08 -39.41 49.81 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.727 0.811 . . . . 0.0 111.378 -177.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.448 HD11 HD23 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -141.46 80.2 16.56 Favored Pre-proline 0 CA--C 1.545 0.781 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 177.411 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -59.78 153.61 55.25 Favored 'Trans proline' 0 C--N 1.372 1.801 0 C-N-CA 121.928 1.752 . . . . 0.0 112.091 170.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -59.13 -41.1 87.45 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.961 173.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.465 ' HB2' ' HD2' ' A' ' 61' ' ' ARG . 3.7 t30 -66.06 -41.52 90.66 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 115.08 -0.963 . . . . 0.0 110.413 -176.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.2 -39.12 91.68 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.714 1.206 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.548 HD12 ' HB3' ' A' ' 69' ' ' LEU . 2.7 tm? -64.61 -49.87 69.39 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.8 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.8 mt -58.99 -41.95 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 C-N-CA 124.109 0.964 . . . . 0.0 111.163 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.3 m -59.75 -49.04 79.27 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.729 178.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -54.67 -49.74 69.9 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.863 0.465 . . . . 0.0 110.755 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 83.7 mt -57.73 -42.87 84.74 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.012 -175.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -79.92 -21.92 43.35 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -75.1 -34.26 61.7 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.698 0.399 . . . . 0.0 111.681 176.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -95.69 -33.24 12.39 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.43 155.64 19.57 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -83.6 161.49 21.12 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.012 168.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.73 -32.86 14.55 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.309 1.044 . . . . 0.0 113.785 -168.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.74 -43.25 65.6 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 124.372 1.069 . . . . 0.0 112.184 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -67.31 -40.4 85.99 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.507 -176.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.404 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.3 mm? -75.64 -28.41 58.78 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.689 -178.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -77.54 -19.99 54.89 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.153 0.581 . . . . 0.0 110.511 175.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -75.45 -56.09 5.04 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.878 0.471 . . . . 0.0 110.702 171.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -85.42 4.56 34.94 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -175.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? 67.04 21.42 10.23 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 124.702 1.201 . . . . 0.0 111.152 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.495 ' HA ' HD13 ' A' ' 60' ' ' ILE . 19.9 mt -83.17 1.65 39.5 Favored 'General case' 0 CA--C 1.559 1.315 0 C-N-CA 124.032 0.933 . . . . 0.0 110.652 177.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -71.1 -22.08 62.14 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.182 0.993 . . . . 0.0 112.699 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -77.54 -168.04 30.15 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-O 120.316 -0.158 . . . . 0.0 113.042 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 t -70.9 130.04 40.6 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 117.099 0.449 . . . . 0.0 110.37 174.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.634 ' HA ' HD12 ' A' ' 60' ' ' ILE . 7.3 m-20 -55.38 -25.89 38.08 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 124.323 1.049 . . . . 0.0 113.748 -173.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -63.84 -50.91 67.02 Favored 'General case' 0 C--O 1.254 1.313 0 C-N-CA 123.465 0.706 . . . . 0.0 111.124 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 m -66.75 -34.76 78.56 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.948 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.634 HD12 ' HA ' ' A' ' 57' ' ' ASN . 52.1 mt -65.94 -55.16 20.58 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.973 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.817 -178.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.465 ' HD2' ' HB2' ' A' ' 33' ' ' ASN . 2.5 ptm180 -60.92 -30.34 70.14 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 122.755 0.422 . . . . 0.0 111.342 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -70.11 -48.68 56.56 Favored 'General case' 0 CA--C 1.556 1.191 0 O-C-N 123.221 0.325 . . . . 0.0 110.785 178.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.448 HD22 ' N ' ' A' ' 63' ' ' ASN . 0.8 OUTLIER -82.67 -46.65 12.96 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.033 0.533 . . . . 0.0 110.932 -172.555 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.42 ' HD2' ' N ' ' A' ' 64' ' ' ARG . 4.2 mpt_? -79.29 123.81 27.8 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.215 1.006 . . . . 0.0 109.001 177.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -88.49 -176.03 5.17 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.257 178.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.47 ' O ' HG13 ' A' ' 70' ' ' ILE . 24.3 p -54.29 -49.59 69.28 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.6 0.76 . . . . 0.0 111.444 -178.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.9 m -57.62 -39.77 77.65 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.78 0.832 . . . . 0.0 113.224 -172.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.418 HE21 ' HA ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -61.99 -41.24 97.82 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.122 0.487 . . . . 0.0 111.599 176.35 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.548 ' HB3' HD12 ' A' ' 35' ' ' LEU . 65.2 mt -77.12 -31.35 55.69 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.785 -175.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.511 HG22 ' HE2' ' A' ' 74' ' ' LYS . 25.3 mt -68.44 -44.25 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 173.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.32 -38.37 86.61 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.89 178.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.31 -43.26 70.7 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.604 0.762 . . . . 0.0 111.889 178.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -67.0 -42.33 85.17 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 120.929 0.395 . . . . 0.0 110.309 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.511 ' HE2' HG22 ' A' ' 70' ' ' ILE . 57.7 mtmt -60.8 -52.03 66.79 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.634 173.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -56.17 -31.79 63.73 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.6 0.76 . . . . 0.0 111.166 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -75.44 -48.57 22.16 Favored 'General case' 0 C--O 1.254 1.293 0 C-N-CA 123.906 0.883 . . . . 0.0 112.316 -177.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.501 ' HB2' ' HB3' ' A' ' 87' ' ' GLN . 30.8 p -68.68 -37.43 79.58 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 121.118 0.485 . . . . 0.0 110.528 178.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -72.46 -25.02 61.29 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.541 1.137 . . . . 0.0 110.925 175.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -65.52 -39.02 91.33 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.19 0.596 . . . . 0.0 109.542 172.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.471 ' HA2' ' HA ' ' A' ' 86' ' ' ASN . . . 81.51 42.86 8.86 Favored Glycine 0 C--N 1.344 0.999 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.506 177.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.5 t -44.67 153.15 0.18 Allowed 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 125.971 1.709 . . . . 0.0 115.375 -170.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.64 -17.22 7.99 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 113.718 -1.583 . . . . 0.0 113.226 172.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.5 m -64.77 -39.21 93.24 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.013 0.525 . . . . 0.0 110.331 175.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.68 4.42 6.8 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.904 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.2 mt -89.64 76.71 7.27 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -176.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.471 ' HA ' ' HA2' ' A' ' 80' ' ' GLY . 11.3 m120 -102.82 117.34 34.42 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.51 1.124 . . . . 0.0 109.292 -179.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.501 ' HB3' ' HB2' ' A' ' 77' ' ' CYS . 6.1 tp-100 -148.03 134.18 19.36 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.314 1.045 . . . . 0.0 109.371 -174.147 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 1.243 0 CA-C-O 119.018 -0.879 . . . . 0.0 112.121 178.766 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 ttp . . . . . 0 N--CA 1.484 1.239 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -94.79 60.57 2.5 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.754 0.821 . . . . 0.0 109.867 -177.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -93.33 -26.98 17.05 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.119 -169.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.3 p -74.47 -28.99 61.27 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 121.058 0.456 . . . . 0.0 110.283 175.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -64.52 -29.56 70.59 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.415 1.086 . . . . 0.0 111.46 174.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -61.7 -9.18 5.72 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 123.997 0.919 . . . . 0.0 113.395 -177.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -117.0 -8.4 11.25 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.411 0.684 . . . . 0.0 111.84 -174.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 82' ' ' LYS . 34.5 mtmm -150.22 9.68 0.66 Allowed 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -170.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.92 148.26 52.07 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 118.604 0.638 . . . . 0.0 111.83 -174.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -81.32 154.49 26.49 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.734 0.413 . . . . 0.0 109.933 175.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 114.28 24.34 4.5 Favored Glycine 0 N--CA 1.469 0.873 0 CA-C-N 116.131 -0.486 . . . . 0.0 113.261 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.41 ' HG2' ' OD1' ' A' ' 42' ' ' ASN . 13.3 mptt -67.47 110.36 3.59 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.61 0.364 . . . . 0.0 110.142 172.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.2 150.36 42.15 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 176.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.15 45.94 37.75 Favored Glycine 0 C--N 1.335 0.496 0 CA-C-N 116.094 -0.503 . . . . 0.0 113.961 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 80.1 m -87.83 97.98 11.22 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 168.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 -102.21 172.81 6.68 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.626 0.77 . . . . 0.0 110.82 -173.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.4 m -84.74 160.84 20.2 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.1 0.56 . . . . 0.0 109.718 167.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.529 HD12 ' HG2' ' A' ' 74' ' ' LYS . 47.9 mm -60.77 -48.36 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 123.505 0.722 . . . . 0.0 110.398 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.564 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 49.0 mt-10 -70.9 -23.73 62.34 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.831 -178.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -67.67 -46.88 71.07 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 172.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.9 t -54.8 -63.04 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 123.449 0.7 . . . . 0.0 110.377 177.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.564 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 11.9 pt-20 -64.04 -44.24 93.13 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -171.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -79.8 -24.05 41.69 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -172.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -104.09 -3.33 24.65 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-O 118.726 -0.654 . . . . 0.0 111.768 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.459 HD22 ' HG2' ' A' ' 32' ' ' LYS . 6.8 mt -58.95 118.12 5.43 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 119.061 0.846 . . . . 0.0 111.533 178.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.57 -14.85 20.08 Favored Glycine 0 C--N 1.344 1.004 0 O-C-N 123.759 0.662 . . . . 0.0 112.823 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.8 p -91.13 -175.07 4.18 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.862 0.465 . . . . 0.0 111.053 -176.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -84.19 -21.85 31.14 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.796 0.438 . . . . 0.0 110.082 171.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -70.46 -37.58 74.33 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.861 0.865 . . . . 0.0 110.513 176.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.5 83.51 10.72 Favored Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 175.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -69.01 139.09 41.88 Favored 'Trans proline' 0 C--N 1.369 1.632 0 C-N-CA 122.233 1.956 . . . . 0.0 110.772 173.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.459 ' HG2' HD22 ' A' ' 25' ' ' LEU . 56.0 mtmt -56.28 -42.65 77.83 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.048 0.939 . . . . 0.0 111.596 -177.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -51.66 -46.8 63.89 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.799 0.84 . . . . 0.0 110.992 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -72.18 -30.94 65.46 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.75 0.82 . . . . 0.0 111.588 -171.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.6 -51.53 66.94 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 173.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.5 mt -59.73 -37.71 72.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.583 178.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 89.4 m -60.86 -53.56 55.8 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.199 1.0 . . . . 0.0 110.545 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -54.66 -46.67 74.06 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.57 0.748 . . . . 0.0 110.137 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.5 mp -58.84 -46.32 87.98 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.64 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.47 ' HA ' HD21 ' A' ' 48' ' ' LEU . 1.6 pt20 -78.43 -20.26 51.46 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 118.162 0.437 . . . . 0.0 112.161 -177.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -74.62 -40.35 61.59 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-O 120.733 0.302 . . . . 0.0 111.042 175.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.41 ' OD1' ' HG2' ' A' ' 12' ' ' LYS . 47.5 m-80 -92.37 -32.87 14.8 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -175.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.93 162.69 14.65 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -176.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.35 157.86 28.98 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 114.141 -1.39 . . . . 0.0 109.725 176.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.13 -34.05 59.35 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.496 0.718 . . . . 0.0 111.595 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.4 -40.73 78.88 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.217 1.007 . . . . 0.0 112.206 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -68.19 -41.41 81.45 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.684 0.794 . . . . 0.0 110.72 -176.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.481 HD12 ' HB2' ' A' ' 53' ' ' LEU . 1.7 mm? -72.91 -29.34 63.06 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.597 178.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -78.92 -17.88 54.76 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 122.221 -0.299 . . . . 0.0 111.204 174.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -77.79 -48.42 16.6 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.379 0.671 . . . . 0.0 110.661 173.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 92.8 m95 -95.35 4.99 52.84 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.473 0.709 . . . . 0.0 111.946 -177.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm 68.28 24.1 7.54 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 125.263 1.425 . . . . 0.0 112.191 172.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.481 ' HB2' HD12 ' A' ' 48' ' ' LEU . 19.6 mt -88.31 17.7 5.01 Favored 'General case' 0 CA--C 1.561 1.404 0 C-N-CA 124.783 1.233 . . . . 0.0 110.948 176.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -81.88 -7.81 59.63 Favored 'General case' 0 CA--C 1.561 1.372 0 C-N-CA 124.091 0.956 . . . . 0.0 112.8 -175.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -87.41 -160.56 35.51 Favored Glycine 0 N--CA 1.482 1.723 0 CA-C-O 120.059 -0.3 . . . . 0.0 112.567 177.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.8 t -82.42 135.76 35.08 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 172.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -58.91 -25.26 63.25 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.216 1.006 . . . . 0.0 113.074 -173.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -58.4 -54.33 48.23 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 123.569 0.543 . . . . 0.0 109.874 172.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.0 m -68.2 -29.63 68.52 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.543 178.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' A' ' 64' ' ' ARG . 60.8 mt -74.25 -44.41 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 117.878 0.308 . . . . 0.0 110.934 -176.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -69.32 -24.91 63.99 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.067 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -76.94 -47.49 20.82 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.98 0.912 . . . . 0.0 111.92 177.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -92.86 -40.62 10.52 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.47 0.708 . . . . 0.0 111.483 -169.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.418 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 4.4 mpt_? -85.38 156.07 21.03 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -96.84 169.81 9.6 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 123.64 0.776 . . . . 0.0 109.817 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.472 ' O ' HG13 ' A' ' 70' ' ' ILE . 27.8 p -58.85 -36.42 74.55 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 123.67 0.606 . . . . 0.0 110.863 177.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.5 m -51.72 -42.7 62.46 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 124.359 1.064 . . . . 0.0 112.969 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -60.9 -43.43 98.54 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.041 0.536 . . . . 0.0 110.875 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.5 mp -69.98 -42.01 73.67 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.504 -176.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.493 HG22 ' HE2' ' A' ' 74' ' ' LYS . 20.6 mt -64.7 -50.23 76.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.53 -40.38 91.29 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.512 1.125 . . . . 0.0 111.715 -177.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.25 -44.38 75.75 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.399 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -63.16 -43.21 98.93 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 122.997 0.519 . . . . 0.0 110.572 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.529 ' HG2' HD12 ' A' ' 18' ' ' ILE . 57.3 mtmt -60.92 -57.9 10.69 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.922 177.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.446 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 26.3 t70 -54.67 -35.23 63.32 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 124.278 0.986 . . . . 0.0 111.176 -177.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -69.93 -48.98 56.35 Favored 'General case' 0 C--O 1.254 1.299 0 C-N-CA 124.018 0.927 . . . . 0.0 111.94 -177.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 42.3 t -65.81 -33.66 76.36 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.835 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -81.28 -21.49 39.31 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.001 177.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 0.1 OUTLIER -69.89 -34.91 74.15 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.482 0.713 . . . . 0.0 109.479 176.076 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.85 43.88 4.04 Favored Glycine 0 C--N 1.351 1.387 0 C-N-CA 120.755 -0.735 . . . . 0.0 111.484 176.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.479 HG23 ' HB2' ' A' ' 85' ' ' LEU . 4.8 t -42.97 138.51 2.02 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.245 1.418 . . . . 0.0 114.293 -171.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -87.03 9.61 19.09 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.458 -171.48 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.4 p -83.24 30.96 0.45 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.447 0.699 . . . . 0.0 111.997 -177.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.28 17.77 79.74 Favored Glycine 0 C--N 1.351 1.374 0 CA-C-N 116.527 -0.306 . . . . 0.0 113.723 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.479 ' HB2' HG23 ' A' ' 81' ' ' THR . 85.3 mt -110.03 38.21 2.47 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.648 0.779 . . . . 0.0 110.531 -174.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -95.05 67.69 3.09 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 121.598 0.713 . . . . 0.0 109.868 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -76.13 103.35 6.13 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.214 178.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 119.049 -0.862 . . . . 0.0 111.514 -178.076 . . . . . . . . 0 0 . 1 stop_ save_