data_2d88_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 2d88 _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 ' 12' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.92 0.391 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -49.25 -50.62 37.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.7 tp -57.34 -51.54 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.3 tp -45.85 -61.34 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -37.5 -58.9 1.34 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.479 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 67.1 t90 -44.81 -54.74 6.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.727 0.298 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.7 m -59.43 -37.41 78.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -63.09 -29.47 70.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 20' ' ' ARG . 14.3 mtp-105 -88.8 -40.58 13.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -70.48 -53.79 14.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.6 p -60.74 -20.91 62.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -50.37 129.1 21.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.93 -38.28 2.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.491 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -61.09 -179.64 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.875 0.369 . . . . 0.0 110.912 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -120.66 127.69 52.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.87 -33.24 4.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.494 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 29' ' ' ASN . 96.5 t -49.88 -68.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 111.094 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 28' ' ' VAL . 9.0 t30 34.9 53.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.6 t -38.16 113.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.0 p -112.88 -25.24 9.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -147.03 167.22 24.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.545 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 24.0 mt -106.2 35.42 2.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 p -134.45 -74.87 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.411 ' O ' ' N ' ' A' ' 38' ' ' LYS . 6.1 mtt -76.51 -50.97 12.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 t -40.06 -30.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.551 ' CZ3' HD23 ' A' ' 106' ' ' LEU . 74.9 m95 -92.25 -36.53 13.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 35' ' ' MET . 4.2 mtmp? -39.97 -39.74 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.3 t -58.0 -43.48 86.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 37' ' ' TRP . . . 110.49 -41.16 2.31 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.511 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -41.63 -51.86 3.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.795 0.331 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.64 -64.96 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.546 HD12 ' CE2' ' A' ' 109' ' ' PHE . 15.4 tp -47.03 -46.38 21.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 60.8 m -60.88 -39.67 90.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.1 -16.9 63.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.1 mm -79.29 -54.82 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.0 mt -62.42 -45.12 99.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' ARG . 31.2 t-80 -62.25 -47.09 85.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 48' ' ' HIS . 24.2 tpt180 -36.48 -52.75 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 113' ' ' PHE . 5.4 m-85 -89.51 -52.2 5.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -119.62 94.61 48.63 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -23.88 30.1 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.639 2.226 . . . . 0.0 112.365 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.43 -59.0 5.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.1 mt -43.07 -56.91 3.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.8 tt -122.02 136.03 60.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -107.8 102.99 12.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -71.27 -49.16 45.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -43.31 -41.07 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.4 t -73.14 -49.41 28.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.8 mt -49.05 145.99 3.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.452 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 7.8 m-20 -110.26 134.27 52.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -58.81 -11.86 3.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -77.75 -40.61 40.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.452 ' ND2' ' HB2' ' A' ' 61' ' ' ASP . 34.0 m-20 -74.94 114.0 12.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.3 t -96.67 -44.66 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -70.4 -35.8 73.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -65.25 -61.55 2.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -40.93 -40.41 1.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -77.02 -62.21 1.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -41.35 -39.52 1.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.2 tp -63.23 -68.05 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.48 -53.43 6.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -48.69 -29.08 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -89.69 -58.83 2.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.2 mm -50.79 -52.6 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -45.03 -71.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -53.74 -42.8 68.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -47.1 -57.36 5.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -99.39 -62.44 1.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 76' ' ' ALA . 20.1 mt -53.58 -58.33 7.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 113.26 -3.61 25.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.425 HG23 ' CB ' ' A' ' 108' ' ' GLN . 50.9 mt -71.38 99.93 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.848 0.356 . . . . 0.0 111.128 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.5 t -58.52 134.26 85.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.666 0.746 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 141.01 44.16 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.297 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.2 pt -88.39 -27.27 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.8 ptp -149.49 152.25 35.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 46.0 p -76.95 158.19 30.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.152 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -56.59 -44.62 90.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -63.32 -36.74 84.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.743 0.306 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -73.15 -22.33 60.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.0 ttt -94.0 -18.94 21.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.87 -18.08 24.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.7 m -95.19 -46.88 6.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.9 p -48.56 139.94 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.78 -33.11 83.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -170.55 136.66 1.19 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.633 0.73 . . . . 0.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.41 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 54.2 Cg_endo -69.71 -174.72 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.698 2.265 . . . . 0.0 112.393 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 99' ' ' LYS . 24.8 t0 -107.5 116.91 32.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.851 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 98' ' ' ASP . 9.0 tmtt? -34.07 -60.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 52.3 mt -50.77 -72.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.7 m -38.63 -54.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.812 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.41 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 93.6 mmm -50.35 -65.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.9 t -48.65 -61.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 45.0 mtm -43.85 -51.8 7.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -60.63 -61.9 2.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.936 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.551 HD23 ' CZ3' ' A' ' 37' ' ' TRP . 46.8 mt -43.14 -49.93 6.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 106' ' ' LEU . 6.7 m -35.31 -53.9 0.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.181 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.425 ' CB ' HG23 ' A' ' 82' ' ' ILE . 50.3 mt-30 -37.1 -49.69 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.546 ' CE2' HD12 ' A' ' 43' ' ' LEU . 56.9 m-85 -60.82 -55.01 38.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.527 ' CD1' ' N ' ' A' ' 111' ' ' GLU . 0.6 OUTLIER -52.99 -57.25 10.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.952 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.527 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 62.9 mm-40 -47.79 -22.24 0.51 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 26.9 tpp -92.4 -29.9 16.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.479 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 24.3 m-85 -113.84 23.88 12.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 110' ' ' TYR . 5.8 ptmm? . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 13' ' ' LYS . 16.1 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.955 0.407 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 12' ' ' SER . 12.0 ttmt -36.53 -42.99 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.442 HD23 ' CB ' ' A' ' 106' ' ' LEU . 12.6 tp -73.82 -53.42 10.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.0 tp -42.3 -53.59 4.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.48 -51.95 6.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.512 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 27.7 t90 -51.02 -55.97 14.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.746 0.308 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.8 m -56.36 -44.07 79.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -56.29 -46.61 79.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -69.45 -47.55 63.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -63.77 -65.09 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.6 p -46.05 -38.42 7.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -43.38 128.24 4.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.25 -36.09 3.66 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -62.77 -176.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.968 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.51 119.28 36.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.0 32.13 69.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.524 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.3 t -124.27 80.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 111.111 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -105.47 113.53 27.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.5 t -100.79 106.65 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.2 p -103.09 -31.53 10.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -134.55 -176.12 4.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.0 mt -120.11 42.1 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.425 ' O ' ' CG ' ' A' ' 97' ' ' PRO . 19.9 p -134.73 -55.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.8 mtt -100.03 -33.77 10.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.2 m -43.33 -24.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.431 ' O ' ' C ' ' A' ' 38' ' ' LYS . 39.9 m95 -104.72 -33.14 8.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 37' ' ' TRP . 6.7 mtpm? -35.81 -39.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.3 p -58.91 -59.35 5.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.83 -39.86 1.84 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.533 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.561 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 25.5 mt -49.3 -63.68 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -35.92 -62.77 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.8 tp -51.56 -37.07 47.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' LEU . 69.2 m -72.02 -33.13 67.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.8 -19.85 64.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.2 mm -73.91 -59.88 2.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.0 mt -57.43 -43.37 82.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 9.1 t-80 -66.37 -50.11 64.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 48' ' ' HIS . 22.6 tpt180 -34.35 -48.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -93.78 -50.19 5.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -123.69 95.72 44.28 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.569 0.699 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.564 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.81 -18.63 36.64 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -69.12 -62.18 1.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.3 mt -38.7 -54.61 1.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.1 tt -121.07 134.84 63.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -102.99 95.38 6.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.561 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 27.8 t80 -66.04 -47.55 74.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -47.14 -46.2 23.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.6 t -66.92 -42.59 85.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.3 mt -56.81 164.29 1.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.485 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 7.9 t0 -139.65 132.6 29.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.43 -29.87 11.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -58.8 -48.59 80.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -72.07 73.14 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 95.1 t -58.95 -56.1 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -57.59 -50.16 74.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 69' ' ' ASN . 7.1 tmtm? -55.42 -68.13 0.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 61' ' ' ASP . 10.2 m-80 -35.65 -31.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 67' ' ' LYS . 56.6 m-80 -83.53 -60.8 2.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.443 ' NE2' ' HA ' ' A' ' 70' ' ' GLN . 1.6 tp-100 -44.35 -45.64 8.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.4 tp -51.21 -71.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.95 -57.69 3.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -44.5 -28.15 0.54 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -92.18 -60.85 1.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.9 mm -47.65 -49.75 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -48.14 -67.17 0.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.057 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -55.61 -36.07 66.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -56.98 -51.34 69.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -104.2 -68.94 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 76' ' ' ALA . 43.5 mt -45.81 -38.28 7.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.34 9.18 62.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.459 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.411 HG21 ' CD ' ' A' ' 108' ' ' GLN . 69.6 mt -89.19 121.25 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.825 0.345 . . . . 0.0 111.141 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.1 p -79.69 130.39 67.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.647 0.737 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 135.08 29.43 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.65 2.234 . . . . 0.0 112.302 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.4 pt -76.09 -20.12 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 61.9 mtm -149.54 175.01 11.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 88' ' ' GLY . 11.9 p -110.62 142.32 42.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.64 -50.39 0.75 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.39 -51.79 57.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.32 -33.51 73.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.4 tpp -69.77 -42.84 73.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.88 -30.68 62.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.9 m -76.13 -54.85 6.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.1 p -53.57 149.18 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.58 -41.78 9.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -157.78 127.54 3.28 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.602 0.715 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.425 ' CG ' ' O ' ' A' ' 34' ' ' THR . 53.3 Cg_endo -69.81 170.34 16.86 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.675 2.25 . . . . 0.0 112.32 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 99' ' ' LYS . 9.2 t70 -90.17 118.72 29.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 98' ' ' ASP . 35.2 tptt -37.26 -60.6 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 57.3 mt -46.87 -68.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 m -41.83 -53.81 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 92.2 mmm -54.09 -64.29 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.9 t -44.68 -63.88 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 47.3 mtm -42.38 -54.18 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -58.43 -64.94 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.442 ' CB ' HD23 ' A' ' 14' ' ' LEU . 58.2 mt -41.38 -50.6 3.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 106' ' ' LEU . 53.0 m -35.53 -45.09 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.411 ' CD ' HG21 ' A' ' 82' ' ' ILE . 34.7 mt-30 -45.59 -51.54 11.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -59.91 -46.1 90.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.499 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 1.5 t80 -60.22 -61.94 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.499 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 24.9 mt-10 -51.72 -16.96 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 33.0 tpp -87.15 -36.64 17.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -119.22 35.36 4.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 32.7 pttt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 13' ' ' LYS . 6.2 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.923 0.392 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 12' ' ' SER . 4.8 tppp? -37.45 -44.6 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 15' ' ' LEU . 6.8 tp -66.1 -56.31 12.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 14' ' ' LEU . 19.5 tp -34.82 -60.52 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 17' ' ' TRP . . . -39.6 -66.47 0.74 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.483 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.447 ' C ' ' O ' ' A' ' 16' ' ' GLY . 71.9 t90 -34.1 -51.46 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.732 0.301 . . . . 0.0 110.914 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 22' ' ' THR . 39.0 m -58.18 -48.34 80.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' GLY . 25.1 mt-30 -59.76 -50.53 73.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.47 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 1.5 mpt_? -59.99 -51.59 69.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -64.37 -63.46 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 55.2 p -45.62 -37.35 5.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -45.55 123.79 4.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.02 -26.92 5.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.493 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.493 ' CE1' ' HB2' ' A' ' 45' ' ' ALA . 14.3 m-85 -71.85 -176.76 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 110.929 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.4 109.61 17.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.07 19.93 58.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.461 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.2 t -118.96 70.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 111.096 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -94.56 106.93 18.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.0 t -85.63 103.77 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.1 t -119.93 -10.07 9.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -141.17 171.38 14.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.431 ' CD2' HD11 ' A' ' 15' ' ' LEU . 66.0 mt -117.4 18.33 14.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.8 p -120.59 -74.91 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.482 ' O ' ' N ' ' A' ' 38' ' ' LYS . 25.1 ptp -78.61 -36.81 43.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.4 t -39.86 -29.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.539 ' CE3' HD21 ' A' ' 106' ' ' LEU . 33.4 m95 -101.79 -25.0 13.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 35' ' ' MET . 7.9 mtpm? -45.57 -32.56 2.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 t -63.28 -52.14 63.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.35 -37.51 3.22 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 42' ' ' ALA . 47.7 mt -49.74 -64.46 0.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -34.57 -68.06 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tp -45.91 -41.18 11.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.9 m -65.35 -41.67 93.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.493 ' HB2' ' CE1' ' A' ' 25' ' ' TYR . . . -65.98 -16.8 64.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.5 mm -78.45 -50.04 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.26 -40.37 86.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.502 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 5.9 t-80 -70.54 -44.44 67.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' HIS . 9.5 tpt180 -35.24 -44.88 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -99.38 -48.36 4.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -124.05 95.27 44.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.502 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.82 -29.26 23.85 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -56.37 -54.12 49.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.0 mt -48.3 -62.67 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.9 tt -116.45 132.41 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -100.33 106.75 18.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -76.94 -31.61 56.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -57.78 -47.1 83.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 t -70.17 -46.65 64.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.8 mt -48.68 149.19 1.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -115.8 158.1 23.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -81.26 -15.36 55.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -81.96 -29.11 32.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -84.93 116.35 23.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.1 t -99.38 -66.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -48.39 -32.87 8.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -68.46 -71.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -39.56 -32.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -79.44 -61.14 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -48.16 -36.13 12.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.0 tp -63.12 -68.74 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.34 -50.3 12.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -52.86 -28.29 22.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -89.3 -58.49 2.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 42.8 mm -52.37 -49.56 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.18 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -45.94 -70.76 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -57.71 -38.18 74.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -50.36 -49.54 53.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -109.72 -64.79 1.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 76' ' ' ALA . 20.3 mt -50.51 -42.48 54.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 99.36 -14.36 60.98 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.418 HG21 ' CB ' ' A' ' 108' ' ' GLN . 83.9 mt -62.72 97.33 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.818 0.342 . . . . 0.0 111.152 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 89.1 p -59.23 132.98 87.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.665 0.745 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 153.12 69.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.254 . . . . 0.0 112.344 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.6 pt -97.37 -23.07 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.089 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 70.1 mtm -145.35 168.15 21.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.6 p -97.06 147.64 23.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.132 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -43.75 -48.31 7.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.445 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.87 -40.9 98.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -65.84 -24.49 66.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 11.1 ttt -78.65 -35.9 44.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.41 -21.17 39.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 96.9 p -81.78 -44.52 16.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.5 p -62.61 148.16 11.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.77 -30.14 36.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.538 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -170.39 126.46 0.7 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.619 0.723 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 168.01 22.83 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.705 2.27 . . . . 0.0 112.306 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -87.43 123.08 31.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -39.08 -59.63 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 101' ' ' SER . 31.1 mt -51.65 -72.66 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 100' ' ' LEU . 56.2 m -36.6 -44.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 88.9 mmm -63.34 -60.2 3.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 38.2 t -49.23 -57.75 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 30.8 mtp -45.48 -51.05 12.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -62.7 -60.64 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.539 HD21 ' CE3' ' A' ' 37' ' ' TRP . 27.9 mt -44.41 -44.56 8.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.945 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 92.4 m -43.76 -50.02 7.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.418 ' CB ' HG21 ' A' ' 82' ' ' ILE . 44.5 mt-30 -40.69 -54.44 2.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -59.72 -53.65 55.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.55 ' CD1' ' N ' ' A' ' 111' ' ' GLU . 1.2 t80 -51.61 -63.32 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.55 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 12.4 mm-40 -42.07 -38.26 1.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 34.2 ttm -70.65 -47.02 62.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.42 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 14.5 m-85 -104.67 33.7 3.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.854 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 110' ' ' TYR . 14.5 pttt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 13' ' ' LYS . 31.9 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.896 0.379 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 12' ' ' SER . 19.0 mttp -37.36 -47.7 0.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.2 tp -61.32 -57.62 11.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.959 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' GLY . 21.0 tp -42.85 -54.32 4.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -37.51 -56.63 1.56 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.496 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.519 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 28.9 t90 -47.92 -64.47 0.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.741 0.305 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.5 m -43.39 -56.0 3.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -46.36 -41.0 12.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.1 mtt-85 -74.71 -46.44 37.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.454 ' HG3' ' CZ2' ' A' ' 17' ' ' TRP . 48.8 mm-40 -65.32 -65.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 79.5 p -46.78 -32.01 3.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -43.31 116.84 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.72 -36.98 2.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -74.48 145.07 43.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.917 0.389 . . . . 0.0 110.881 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.48 126.38 35.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.139 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.24 -17.95 48.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.3 t -88.92 62.11 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 111.179 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.425 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 12.5 p-10 -88.09 94.4 9.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -77.86 94.2 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.0 p -91.59 -37.9 12.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -131.52 179.87 5.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.1 mt -112.01 42.07 1.83 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.0 p -134.44 -69.74 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' TRP . 26.2 ptm -83.32 -39.81 20.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 65.8 m -40.76 -25.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' LYS . 58.9 m95 -103.65 -34.86 8.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' TRP . 8.2 mtpm? -34.67 -51.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 t -51.79 -55.92 16.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.29 -34.87 3.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.533 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.3 mt -44.84 -59.51 2.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.849 0.356 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -39.03 -68.99 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.9 tp -40.62 -39.73 1.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.0 m -68.98 -42.71 76.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.43 -28.8 67.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.06 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.0 mm -67.33 -55.04 18.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.137 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 78.2 mt -64.78 -41.58 92.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -66.9 -43.1 84.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.1 tpt85 -39.28 -50.9 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -92.68 -52.27 4.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 25.0 mtt85 -116.74 96.23 48.08 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.633 0.73 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -22.86 31.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.252 . . . . 0.0 112.298 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 54' ' ' LEU . 19.9 t0 -64.73 -65.09 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 53' ' ' ASP . 16.6 mt -34.22 -53.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.8 tt -130.33 135.08 61.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -102.58 104.35 14.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -67.0 -42.12 85.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -50.46 -45.52 56.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.6 t -66.73 -49.16 66.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.5 mt -50.44 145.89 5.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -116.17 133.99 55.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -50.82 -36.98 40.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -55.98 -45.22 79.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.435 ' HB2' ' ND2' ' A' ' 68' ' ' ASN . 80.1 m-20 -65.02 114.15 4.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.483 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 85.8 t -102.25 -66.74 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -51.79 -48.9 63.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 68' ' ' ASN . 0.2 OUTLIER -55.87 -67.07 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.435 ' ND2' ' HB2' ' A' ' 64' ' ' ASN . 5.0 m-80 -35.78 -36.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 65' ' ' VAL . 69.4 m-80 -76.93 -59.38 2.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.439 ' NE2' ' HA ' ' A' ' 70' ' ' GLN . 2.2 tp-100 -47.14 -39.94 14.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.4 tp -57.09 -68.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.27 -50.86 20.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -48.93 -24.6 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -97.09 -55.36 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 43.4 mm -52.47 -48.86 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -45.78 -73.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -52.88 -45.52 67.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -44.16 -53.43 6.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -104.22 -65.12 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 76' ' ' ALA . 13.9 mt -51.5 -50.48 59.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 103.5 8.77 39.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.1 mt -85.01 104.83 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.854 0.359 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.3 t -63.81 132.48 95.24 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.682 0.753 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 156.93 62.0 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.329 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.426 HG13 ' N ' ' A' ' 86' ' ' MET . 29.5 pt -106.02 -35.97 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.426 ' N ' HG13 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -126.29 161.76 27.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 28.0 p -94.64 141.65 28.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.51 -42.71 2.71 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -41.69 96.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.748 0.309 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -67.18 -23.93 65.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 11.8 tpp -79.72 -32.87 41.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.34 -34.99 28.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 m -76.04 -51.52 12.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.8 p -48.22 136.0 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -68.47 -31.07 73.41 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.48 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -172.16 130.01 0.65 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.633 0.73 . . . . 0.0 110.906 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 157.35 60.76 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.639 2.226 . . . . 0.0 112.337 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -80.14 124.58 28.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -41.99 -58.96 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.1 mt -45.87 -66.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.0 m -43.61 -56.05 3.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 91.7 mmm -52.2 -63.9 0.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.824 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 86.9 t -45.94 -60.28 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 107' ' ' THR . 16.3 mtm -51.14 -67.41 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.455 ' O ' ' CD ' ' A' ' 108' ' ' GLN . 53.4 t80 -41.6 -46.96 3.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.435 HD11 ' CE2' ' A' ' 37' ' ' TRP . 41.0 mt -63.07 -31.76 72.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.949 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 104' ' ' MET . 54.1 m -40.12 -59.94 1.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.455 ' CD ' ' O ' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -43.51 -53.95 5.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -53.81 -45.19 70.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.438 ' O ' ' N ' ' A' ' 114' ' ' LYS . 2.3 t80 -65.01 -64.34 0.89 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.408 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 64.0 mt-10 -50.35 -29.61 10.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 36.6 tpp -66.39 -32.53 73.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.519 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 28.5 m-85 -129.96 28.49 5.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 110' ' ' TYR . 41.8 pttt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 13' ' ' LYS . 3.3 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.97 0.414 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 12' ' ' SER . 21.7 mmtp -38.12 -47.91 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.414 ' CD2' ' HB2' ' A' ' 106' ' ' LEU . 34.9 tp -65.85 -53.24 42.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 16' ' ' GLY . 27.2 tp -46.43 -58.57 3.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -36.53 -57.63 1.17 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.463 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.493 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 20.8 t90 -47.58 -60.99 2.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.757 0.313 . . . . 0.0 110.91 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.7 m -49.46 -47.14 48.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -55.62 -43.36 76.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.5 mtt85 -71.4 -39.4 71.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.405 ' C ' ' N ' ' A' ' 23' ' ' ASP . 41.2 mm-40 -74.52 -67.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.4 p -44.16 -22.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.174 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 21' ' ' GLN . 32.3 t0 -53.08 115.44 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.7 -32.03 2.98 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.465 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.454 ' CZ ' ' HB1' ' A' ' 45' ' ' ALA . 44.5 m-85 -69.82 174.01 5.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.914 0.388 . . . . 0.0 110.878 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.09 132.91 56.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.14 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.92 -2.12 70.71 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 29' ' ' ASN . 96.1 t -91.26 -74.06 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.338 . . . . 0.0 111.134 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 30' ' ' VAL . 43.1 t30 37.34 54.9 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 29' ' ' ASN . 46.3 t -35.51 125.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.8 p -120.8 -21.7 6.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -148.23 176.45 10.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.498 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 11.2 mt -115.26 36.98 3.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 p -133.77 -74.35 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.8 mtp -81.22 -44.5 17.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -44.75 -24.23 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.498 ' CD1' ' HA ' ' A' ' 33' ' ' LEU . 53.1 m95 -100.15 -35.47 9.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -41.15 -41.29 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.8 p -54.52 -43.29 71.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.48 -39.3 2.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.492 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.1 mt -49.68 -60.12 3.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.337 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -41.73 -56.25 2.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.0 tp -56.0 -41.87 75.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 84.9 m -64.12 -38.95 92.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.454 ' HB1' ' CZ ' ' A' ' 25' ' ' TYR . . . -62.38 -24.25 67.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 49.1 mm -69.66 -59.52 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.439 ' CG2' HG21 ' A' ' 55' ' ' ILE . 43.0 mt -59.73 -38.43 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 9.5 t-80 -74.36 -40.79 61.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -39.0 -42.45 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -98.62 -53.02 3.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.1 mtt-85 -120.16 95.95 49.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.8 -17.73 37.24 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.657 2.238 . . . . 0.0 112.366 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.44 -53.5 23.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.9 mt -46.31 -57.01 4.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.439 HG21 ' CG2' ' A' ' 47' ' ' ILE . 6.4 tt -120.58 145.3 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -106.73 96.65 6.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -74.98 -39.2 61.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -52.03 -44.0 64.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.0 t -71.99 -47.43 52.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.6 mt -49.45 162.08 0.17 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -143.52 175.4 9.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -84.88 -24.97 28.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -60.73 -30.49 70.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.428 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.8 OUTLIER -99.54 85.17 3.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 85.4 t -71.08 -56.11 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -58.76 -43.92 90.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 68' ' ' ASN . 33.5 tttp -58.09 -67.21 0.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 67' ' ' LYS . 2.8 m-80 -35.58 -37.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 65' ' ' VAL . 75.2 m-80 -78.46 -61.23 2.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -42.05 -44.94 3.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.9 tp -53.58 -67.53 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 74' ' ' ASP . . . -47.3 -54.94 9.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -45.04 -22.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 72' ' ' ALA . 9.1 t0 -99.78 -56.53 2.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.2 -46.87 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -48.52 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.69 -46.14 63.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -43.12 -54.8 4.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -103.0 -64.46 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 76' ' ' ALA . 15.4 mt -51.92 -48.62 64.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.25 -1.4 43.63 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.521 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.4 mt -75.53 106.78 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 111.104 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.4 p -65.79 131.99 94.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.68 0.752 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 146.22 59.52 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.326 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.558 HG21 ' CD1' ' A' ' 105' ' ' TYR . 39.3 pt -91.45 -21.77 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.2 ptp -152.24 176.01 12.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 58.3 p -102.45 151.44 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -47.48 -39.53 15.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.2 tttm -61.28 -54.69 40.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.746 0.308 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -55.31 -20.68 12.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.0 tpp -85.2 -24.57 27.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.46 -30.73 17.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.9 t -76.75 -49.13 16.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.9 p -56.98 145.99 6.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -73.88 -31.94 59.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -172.65 133.83 0.72 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.596 0.712 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 173.57 10.74 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.242 . . . . 0.0 112.398 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 98' ' ' ASP . 42.9 t0 -92.91 113.15 25.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 98' ' ' ASP . 1.0 OUTLIER -36.49 -49.74 0.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.4 mt -56.71 -68.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.3 m -43.2 -52.38 5.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 79.0 mmm -53.91 -64.91 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.5 t -44.18 -46.43 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 39.5 mtt -60.34 -65.51 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.558 ' CD1' HG21 ' A' ' 85' ' ' ILE . 69.5 t80 -48.76 -36.51 16.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.414 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 89.2 mt -68.51 -34.15 75.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.7 m -37.91 -60.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.404 ' OE1' ' O ' ' A' ' 105' ' ' TYR . 0.5 OUTLIER -42.27 -58.02 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -48.2 -38.14 17.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.488 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 1.8 t80 -77.08 -64.94 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.488 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 9.8 mm-40 -47.16 -31.51 3.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 33.4 ttm -66.23 -39.33 89.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.493 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 29.7 m-85 -120.87 31.85 6.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.3 pttp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.943 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.997 0.427 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -39.68 -54.21 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.7 tp -57.21 -54.53 45.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 16' ' ' GLY . 30.0 tp -41.65 -64.6 0.55 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -35.61 -62.46 0.65 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -40.16 -53.9 2.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.771 0.32 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.6 m -61.1 -42.73 99.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.956 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -56.69 -34.08 67.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 -84.02 -48.43 9.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -61.2 -56.82 16.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.422 ' CG2' HD13 ' A' ' 46' ' ' ILE . 72.8 p -57.39 -26.0 60.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -52.12 121.15 6.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.38 -28.18 4.08 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -74.28 177.16 6.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.854 0.359 . . . . 0.0 110.92 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.22 132.19 46.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.095 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.55 27.05 33.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.415 ' O ' ' CG1' ' A' ' 28' ' ' VAL . 55.5 t -116.65 74.25 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -104.57 104.8 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.5 t -77.86 102.72 4.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.4 m -101.4 -32.7 10.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -138.43 173.14 11.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.8 mt -111.93 37.86 2.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.4 p -132.12 -74.88 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.6 ptm -85.31 -31.54 22.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.17 -26.08 4.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.545 ' CH2' HD23 ' A' ' 106' ' ' LEU . 42.0 m95 -101.03 -34.66 9.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 37' ' ' TRP . 6.3 mtpm? -35.6 -39.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.3 t -55.91 -59.64 4.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.72 -40.97 1.66 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.515 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.511 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 89.4 mt -42.29 -67.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.341 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -38.31 -69.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.7 tp -42.74 -40.12 2.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 77.0 m -71.95 -31.32 66.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -73.54 -15.57 61.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.422 HD13 ' CG2' ' A' ' 22' ' ' THR . 27.2 mm -77.45 -55.52 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mt -62.09 -44.48 99.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.49 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 45.7 t-80 -64.46 -49.92 69.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 48' ' ' HIS . 18.7 tpt85 -36.5 -50.43 0.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.504 ' CE2' ' HB3' ' A' ' 113' ' ' PHE . 43.0 m-85 -88.79 -53.58 4.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -122.16 95.9 46.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.61 0.719 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.49 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.71 -22.86 31.73 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.353 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -64.84 -47.98 75.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.9 mt -50.34 -66.5 0.38 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.3 tt -113.04 139.58 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -102.43 105.42 15.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.511 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 14.4 t80 -73.94 -53.21 10.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.87 -30.89 4.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.0 t -75.87 -46.95 27.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.6 mt -55.25 174.53 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 62' ' ' GLU . 60.4 t0 -140.04 131.09 26.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.41 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 11.3 pt-20 -46.13 -38.58 8.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -58.66 -45.8 88.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -64.85 115.83 5.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.6 t -104.37 -62.11 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -57.65 -21.42 39.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 68' ' ' ASN . 0.1 OUTLIER -80.52 -69.42 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 67' ' ' LYS . 10.6 m-80 -37.0 -39.97 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -76.43 -58.97 2.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -44.24 -44.25 7.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 38.9 tp -59.43 -67.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.62 -58.21 2.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -45.23 -31.73 1.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -87.69 -62.11 1.57 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.5 mm -46.2 -51.62 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -43.7 -73.4 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.058 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -52.6 -45.75 66.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -43.88 -53.37 6.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -104.44 -65.31 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 76' ' ' ALA . 14.8 mt -51.18 -59.87 3.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.94 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 115.58 1.58 21.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.497 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.509 HG21 ' CE1' ' A' ' 109' ' ' PHE . 58.9 mt -75.57 102.0 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 111.136 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 97.1 p -62.67 124.13 81.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.673 0.749 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 140.23 42.24 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.688 2.259 . . . . 0.0 112.374 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.9 pt -79.57 -26.94 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.081 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 51.6 mtm -147.52 -177.62 5.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.2 p -115.95 150.3 37.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -43.72 -40.6 5.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.01 -45.12 96.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.727 0.299 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -68.7 -36.93 79.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 32.4 ttm -69.57 -32.92 71.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.12 -29.3 54.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.048 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.2 t -80.67 -54.28 5.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.872 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.4 p -53.51 139.61 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.083 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -69.84 -33.33 70.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -167.32 134.01 1.84 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.658 0.742 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -179.14 2.7 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.347 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -96.77 134.11 40.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -51.04 -57.06 9.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.826 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 101' ' ' SER . 55.5 mt -54.7 -71.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 100' ' ' LEU . 5.6 t -38.0 -50.44 1.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 87.2 mmm -56.65 -62.26 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 43.9 t -47.6 -61.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 44.7 mtt -47.53 -54.5 11.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -54.13 -63.06 1.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.96 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.545 HD23 ' CH2' ' A' ' 37' ' ' TRP . 65.5 mt -46.02 -49.09 16.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.941 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 106' ' ' LEU . 24.6 m -36.56 -48.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -43.52 -46.28 6.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.509 ' CE1' HG21 ' A' ' 82' ' ' ILE . 72.4 m-85 -65.18 -50.68 65.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.495 ' CD1' ' N ' ' A' ' 111' ' ' GLU . 1.0 OUTLIER -54.69 -58.79 6.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.495 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 9.5 mt-10 -51.74 -27.06 10.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 27.0 tpp -77.26 -40.7 43.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.504 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 23.2 m-85 -109.18 22.99 15.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 110' ' ' TYR . 49.4 pttt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.928 0.394 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -46.48 -47.56 19.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.5 tp -61.82 -53.79 51.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.4 tp -39.68 -61.47 0.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -38.89 -60.37 1.54 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.448 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 41.5 t90 -42.03 -52.46 4.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.745 0.307 . . . . 0.0 110.955 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.8 m -63.48 -45.51 90.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -57.01 -33.62 67.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -81.89 -49.93 9.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -62.43 -57.49 11.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.4 p -53.28 -39.71 64.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.409 ' C ' ' OD1' ' A' ' 23' ' ' ASP . 5.1 t0 -43.72 123.24 3.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.1 -32.07 4.09 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.436 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -63.51 -176.27 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.931 0.396 . . . . 0.0 110.927 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.29 113.1 24.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.07 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.87 28.52 60.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.1 t -122.76 78.25 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 111.131 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 8.1 p-10 -104.46 105.03 14.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.6 t -87.57 105.64 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.9 t -103.93 -21.31 13.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.167 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -150.77 149.01 29.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 mt -82.27 43.24 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.1 p -132.24 -74.2 0.51 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 37' ' ' TRP . 22.4 ptm -81.19 -38.91 26.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.9 m -38.62 -26.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.495 ' N ' ' O ' ' A' ' 35' ' ' MET . 49.2 m95 -102.85 -32.53 9.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 35' ' ' MET . 10.3 mtpt -40.02 -48.19 2.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.4 t -51.13 -55.77 16.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.53 -42.43 1.59 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.498 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.5 mt -45.67 -59.22 2.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -39.44 -70.48 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.1 tp -44.5 -41.49 6.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 79.8 m -66.48 -32.72 74.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -71.57 -17.02 62.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.4 mm -78.95 -44.72 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 97.1 mt -71.29 -38.5 69.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' A' ' 49' ' ' ARG . 11.4 t-80 -72.61 -50.44 25.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' HIS . 14.0 tpt180 -34.9 -42.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -99.37 -51.94 3.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.942 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -122.35 96.71 45.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.599 0.714 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -19.03 36.6 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.65 2.233 . . . . 0.0 112.368 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.83 -55.86 11.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.2 mt -42.7 -60.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.2 tt -119.42 147.61 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -111.36 98.92 7.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -63.74 -55.47 22.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -42.93 -40.54 3.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 p -68.92 -40.69 78.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.0 mt -68.38 146.44 53.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -120.39 139.86 52.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -48.26 -45.33 34.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -47.61 -47.69 28.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.416 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 5.3 m-20 -68.26 110.71 4.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.5 t -98.75 -66.32 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -51.36 -37.2 46.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 68' ' ' ASN . 20.3 tttp -64.96 -69.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 67' ' ' LYS . 5.3 m-80 -36.52 -35.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -79.87 -62.15 1.77 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -44.0 -36.91 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.1 tp -63.06 -69.08 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.56 -59.06 1.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -42.39 -32.27 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -88.8 -59.42 2.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 42.9 mm -47.14 -52.33 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -46.1 -72.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -54.36 -33.62 59.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -59.26 -44.14 92.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -112.53 -65.01 1.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 76' ' ' ALA . 19.6 mt -51.15 -46.26 61.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 103.17 -7.57 52.16 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.486 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.403 HG21 ' CD ' ' A' ' 108' ' ' GLN . 63.6 mt -71.64 108.84 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.361 . . . . 0.0 111.137 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 76.9 p -67.55 129.11 93.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.641 0.734 . . . . 0.0 110.814 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 147.65 63.35 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.2 pt -92.85 -33.34 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.15 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -128.99 174.74 9.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 88' ' ' GLY . 78.2 p -117.28 142.0 47.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.73 -46.95 0.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -47.41 81.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 87' ' ' THR . 4.5 mm-40 -66.63 -21.98 66.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.7 ttm -83.8 -37.24 22.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.42 -27.58 46.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.7 m -83.77 -54.85 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.1 p -52.59 138.47 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.75 -40.14 95.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.458 ' CG ' ' HD2' ' A' ' 97' ' ' PRO . 24.3 tt0 -162.41 139.04 5.98 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.626 0.726 . . . . 0.0 110.879 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.458 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 53.7 Cg_endo -69.8 176.85 6.26 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.659 2.239 . . . . 0.0 112.324 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -102.07 124.87 48.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.831 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -41.33 -52.1 3.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.8 mt -54.24 -65.34 0.59 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.4 m -46.89 -52.82 13.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 84.8 mmm -53.64 -63.4 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.3 t -50.5 -63.17 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.7 mtt -46.49 -49.69 18.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -59.74 -66.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 107' ' ' THR . 44.5 mt -43.13 -48.14 6.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 106' ' ' LEU . 89.5 m -34.96 -47.36 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.403 ' CD ' HG21 ' A' ' 82' ' ' ILE . 51.2 mt-30 -47.03 -47.34 22.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 106' ' ' LEU . 66.8 m-85 -67.63 -49.33 63.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.481 ' O ' ' N ' ' A' ' 114' ' ' LYS . 1.4 t80 -53.97 -60.64 3.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.478 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 13.8 mt-10 -49.51 -30.89 9.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 22.9 tpp -74.54 -35.93 63.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.448 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 23.8 m-85 -113.74 24.95 11.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 110' ' ' TYR . 11.0 pttp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 13' ' ' LYS . 2.4 m . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.922 0.392 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 12' ' ' SER . 16.9 mmtp -34.76 -49.19 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 tp -57.8 -56.94 15.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.6 tp -41.1 -57.22 2.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.88 -59.4 2.07 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.478 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.415 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 31.3 t90 -39.73 -48.47 2.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.737 0.303 . . . . 0.0 110.932 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.2 m -65.91 -48.78 70.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -54.7 -36.15 64.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -79.93 -49.2 12.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -61.69 -60.09 4.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.8 p -51.79 -30.39 22.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -44.75 124.18 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.26 -29.34 5.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.519 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.405 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 17.7 m-85 -75.11 -177.15 3.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.936 0.398 . . . . 0.0 110.91 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.55 118.89 35.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.057 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.93 28.87 74.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.497 ' O ' ' N ' ' A' ' 30' ' ' VAL . 39.7 t -117.87 -20.93 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 111.144 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 28' ' ' VAL . 13.5 t30 -36.79 93.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 28' ' ' VAL . 72.9 t -59.53 133.04 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.6 p -118.46 -26.23 6.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -140.72 -175.51 4.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.1 mt -119.23 31.98 6.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.5 p -132.49 -72.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.173 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 38' ' ' LYS . 17.6 mtp -79.22 -46.21 18.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.1 m -38.73 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.429 ' N ' ' O ' ' A' ' 35' ' ' MET . 77.3 m95 -96.53 -33.22 11.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 35' ' ' MET . 8.7 mtpm? -38.9 -45.23 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.3 t -53.06 -59.52 4.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.06 -37.48 2.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 42' ' ' ALA . 83.2 mt -45.9 -59.12 3.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -35.89 -70.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.085 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.6 tp -43.2 -43.8 4.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 67.6 m -64.83 -36.6 84.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.405 ' HB1' ' CE2' ' A' ' 25' ' ' TYR . . . -72.34 -8.28 54.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.5 mm -87.59 -41.46 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 81.4 mt -76.08 -41.17 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.434 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 11.6 t-80 -68.44 -40.97 80.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.6 tpt85 -40.01 -42.04 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -101.69 -52.36 3.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.453 ' NE ' HD12 ' A' ' 54' ' ' LEU . 15.6 mtm180 -122.24 95.7 46.95 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 110.85 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.434 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 54.4 Cg_endo -69.75 -26.07 28.02 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.717 2.278 . . . . 0.0 112.381 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -58.16 -49.54 76.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.453 HD12 ' NE ' ' A' ' 51' ' ' ARG . 16.2 mt -50.4 -65.75 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.5 tt -114.08 132.32 63.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -97.2 105.11 17.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -70.11 -46.83 64.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -51.19 -41.89 60.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.5 p -65.17 -39.06 92.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.2 mt -66.49 168.18 9.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -148.32 131.51 16.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.417 ' CD ' ' N ' ' A' ' 63' ' ' GLN . 3.1 pp20? -39.91 -45.37 1.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.417 ' N ' ' CD ' ' A' ' 62' ' ' GLU . 72.4 mt-30 -42.09 -53.27 4.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.402 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 5.7 m-20 -69.92 115.09 8.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.423 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 73.6 t -101.25 -59.32 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.147 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -58.27 -42.2 86.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 68' ' ' ASN . 15.4 ttpp -58.71 -66.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 67' ' ' LYS . 6.3 m-80 -36.12 -42.79 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 65' ' ' VAL . 71.5 m-80 -72.13 -61.84 1.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -43.24 -40.58 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 32.7 tp -61.65 -68.64 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.83 -50.31 4.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -51.79 -35.29 43.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -82.73 -57.6 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.2 mm -51.37 -54.54 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -44.94 -66.59 0.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -57.55 -35.73 70.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -57.63 -47.02 83.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -108.02 -66.28 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 76' ' ' ALA . 32.6 mt -49.32 -41.58 38.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 97.45 -7.97 64.05 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 71.2 mt -70.25 111.85 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 111.117 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.8 p -68.13 131.62 92.08 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.705 0.764 . . . . 0.0 110.824 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 136.72 33.56 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.638 2.225 . . . . 0.0 112.33 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.9 pt -85.56 -24.44 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 75.2 mtm -141.18 163.8 31.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 88' ' ' GLY . 81.7 p -101.34 138.29 38.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -35.5 -41.66 0.38 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.46 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -62.64 -52.39 63.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.751 0.31 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -58.44 -32.49 68.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.7 tpt -71.9 -37.79 70.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.83 -26.41 40.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.075 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.2 t -83.13 -51.99 7.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.1 p -50.06 150.94 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.07 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -80.51 -36.18 24.01 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.458 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -165.48 131.67 2.09 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.619 0.723 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 171.27 14.78 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.31 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -96.56 128.97 44.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -47.62 -47.71 28.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.3 mt -56.79 -72.15 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.1 p -41.73 -54.6 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 89.8 mmm -51.08 -62.49 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 69.7 t -49.63 -56.44 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 59.7 mtm -50.26 -61.98 1.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -48.86 -61.51 2.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 108' ' ' GLN . 22.9 mt -46.78 -49.53 19.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.7 m -38.15 -28.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 106' ' ' LEU . 48.8 mt-30 -63.65 -46.76 84.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 106' ' ' LEU . 50.8 m-85 -66.55 -43.17 85.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 114' ' ' LYS . 2.5 t80 -60.85 -61.83 2.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.949 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.446 ' HA ' ' CD ' ' A' ' 114' ' ' LYS . 15.9 mt-10 -52.9 -23.36 6.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 16.5 tpp -78.8 -26.7 44.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.415 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 21.1 m-85 -131.32 29.81 4.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.446 ' CD ' ' HA ' ' A' ' 111' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.915 0.388 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -42.42 84.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.1 tp -67.56 -46.29 73.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 16' ' ' GLY . 53.7 tp -47.68 -64.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -35.15 -53.89 0.92 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.465 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -51.63 -55.22 20.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.749 0.309 . . . . 0.0 110.914 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.487 ' O ' ' CG2' ' A' ' 22' ' ' THR . 78.1 m -55.42 -36.95 67.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -71.42 -35.53 71.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -78.12 -30.91 49.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -84.7 -53.93 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 30.8 p -60.53 -11.94 8.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.88 124.87 21.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.56 -31.13 4.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 45' ' ' ALA . 60.7 m-85 -75.07 170.56 15.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.893 0.378 . . . . 0.0 110.887 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -111.59 127.06 55.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.128 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.01 -32.64 5.74 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.419 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.449 ' O ' ' C ' ' A' ' 29' ' ' ASN . 16.5 t -53.74 -68.48 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 111.124 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 28' ' ' VAL . 24.3 t30 34.49 46.03 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.6 t -44.42 106.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.459 HG23 ' N ' ' A' ' 32' ' ' ASP . 8.9 t -106.56 -35.57 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.459 ' N ' HG23 ' A' ' 31' ' ' THR . 9.0 m-20 -128.7 148.53 50.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mt -85.77 40.66 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.3 p -131.38 -73.01 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 38' ' ' LYS . 8.3 ptp -78.54 -42.59 28.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 35' ' ' MET . 67.7 m -35.11 -33.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.513 ' CE2' HD12 ' A' ' 106' ' ' LEU . 37.1 m95 -95.84 -36.27 11.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 35' ' ' MET . 20.4 mtpp -35.5 -52.29 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.4 p -54.02 -58.64 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.37 -36.3 2.61 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.9 mt -44.81 -57.49 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.795 0.331 . . . . 0.0 110.938 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -41.43 -71.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.9 tp -42.26 -45.23 4.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 83.4 m -65.33 -32.02 73.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 25' ' ' TYR . . . -75.59 -24.63 56.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 30.4 mm -72.27 -55.64 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 52.5 mt -58.14 -44.97 88.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.423 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 19.3 t-80 -66.31 -46.1 78.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 48' ' ' HIS . 19.1 tpt180 -36.0 -44.8 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 113' ' ' PHE . 15.0 m-85 -96.75 -52.52 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.8 mmt-85 -120.86 95.65 48.88 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.576 0.703 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.423 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.77 -20.24 35.06 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.81 -51.2 63.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.441 ' CD1' HD23 ' A' ' 80' ' ' LEU . 37.2 mt -49.3 -56.49 9.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 8.5 tt -127.78 143.36 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -107.86 106.18 16.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -76.63 -31.3 57.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -65.96 -17.84 64.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -95.38 -41.5 8.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.1 mt -56.67 151.4 13.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.471 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 4.7 m-20 -116.29 131.01 57.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -46.98 -49.48 20.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 64' ' ' ASN . 5.5 pt20 -46.43 -34.06 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.501 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 52.5 m-20 -74.39 109.74 8.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.413 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 56.1 t -100.47 -68.12 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -54.39 -36.47 63.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -66.04 -63.51 1.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 64' ' ' ASN . 4.9 m-80 -39.46 -30.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 65' ' ' VAL . 71.0 m-80 -83.4 -62.32 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.835 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -42.53 -34.75 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.8 tp -67.31 -66.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.3 -57.24 4.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -45.42 -23.15 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -95.7 -60.19 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.2 mm -50.98 -48.71 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -46.55 -72.56 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -53.59 -45.81 70.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.405 ' HA ' ' NZ ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -42.75 -54.66 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -103.99 -64.08 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 76' ' ' ALA . 16.3 mt -51.47 -50.0 60.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 106.65 -3.99 36.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 79.5 mt -71.91 101.53 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.809 0.338 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.8 t -64.48 131.84 95.2 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.64 0.733 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 149.39 66.86 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.4 pt -97.13 -26.46 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.3 mtm -135.67 -174.99 3.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 35.0 p -115.51 146.98 41.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -44.54 -45.24 8.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -66.08 -42.04 89.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.778 0.323 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -66.33 -25.74 66.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 17.2 tpp -78.45 -35.63 46.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -83.27 -19.87 35.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.05 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 t -87.92 -47.65 8.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.1 p -54.53 154.89 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.1 -43.97 7.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -156.25 133.44 6.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.663 0.744 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.411 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 54.0 Cg_endo -69.81 176.73 6.42 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.31 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 99' ' ' LYS . 46.2 t0 -98.79 114.46 27.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 98' ' ' ASP . 27.4 tptt -35.5 -50.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.8 mt -57.78 -74.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.8 t -38.24 -45.19 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.797 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.411 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 94.3 mmm -61.36 -62.89 1.5 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.6 t -49.17 -50.58 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.421 ' O ' ' N ' ' A' ' 107' ' ' THR . 63.5 mtm -59.72 -73.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 104' ' ' MET . 55.8 t80 -37.13 -44.01 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.513 HD12 ' CE2' ' A' ' 37' ' ' TRP . 31.3 mt -65.49 -45.7 82.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.945 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 104' ' ' MET . 18.1 m -36.47 -45.99 0.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -46.32 -51.62 14.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -59.84 -48.74 80.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 114' ' ' LYS . 2.9 t80 -57.64 -65.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.445 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 35.8 mt-10 -48.34 -28.87 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 20.1 tpp -74.18 -36.15 64.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.555 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 27.8 m-85 -112.57 18.17 18.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 110' ' ' TYR . 51.1 pttt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.7 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.932 0.396 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.14 -42.92 51.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.7 tp -53.02 -48.46 67.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.9 tp -47.52 -55.95 8.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.47 -58.28 4.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.45 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 51.4 t90 -42.13 -52.38 4.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.762 0.315 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 66.5 m -61.99 -52.27 64.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -47.8 -42.58 26.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -75.71 -49.16 19.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -59.75 -64.4 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.2 p -47.05 -44.39 20.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -37.94 128.44 1.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.87 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.61 -30.92 5.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -71.61 -177.83 2.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 0.0 110.912 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.07 121.38 43.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.52 25.64 70.28 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.9 t -121.15 71.72 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.849 0.357 . . . . 0.0 111.115 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 29' ' ' ASN . 38.5 t-20 -104.33 90.85 3.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.27 105.24 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.9 p -106.42 -37.17 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -117.18 -175.01 2.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 49.5 mt -121.86 20.3 10.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.2 p -130.41 -72.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 95.6 mtp -69.92 -38.67 76.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.8 t -44.29 -35.4 2.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.516 ' CH2' HD21 ' A' ' 106' ' ' LEU . 48.4 m95 -93.57 -33.05 13.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.97 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -39.4 -37.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.7 t -60.72 -58.89 6.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.22 -36.36 2.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.8 mt -47.27 -65.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.948 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -37.79 -69.71 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 tp -40.26 -43.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 79.9 m -67.33 -40.17 85.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -64.47 -29.25 70.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.06 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.3 mm -64.66 -54.33 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.7 mt -62.26 -46.53 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 15.6 t-80 -65.45 -40.77 93.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.825 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.2 tpt85 -39.75 -42.63 1.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -102.69 -50.53 3.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.5 mmt-85 -120.58 95.76 48.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.589 0.709 . . . . 0.0 110.85 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.546 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.7 -27.7 26.46 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.695 2.263 . . . . 0.0 112.398 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -55.28 36.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 29.2 mt -43.93 -62.65 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.9 tt -115.08 132.25 64.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -99.19 90.87 4.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -66.2 -30.71 71.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.14 -38.76 80.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.9 t -74.22 -44.25 53.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.7 mt -53.63 166.9 0.27 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -132.83 140.88 48.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -54.53 -44.01 72.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -56.36 -43.58 79.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -64.34 111.99 2.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.1 t -101.38 -65.14 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -51.94 -27.92 14.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.7 OUTLIER -76.4 -67.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 67' ' ' LYS . 3.7 m-80 -35.43 -32.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 67' ' ' LYS . 80.8 m-20 -83.58 -60.31 2.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -44.16 -39.56 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.73 -67.45 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.4 -58.67 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -43.79 -26.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -93.61 -58.92 2.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.807 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.4 mm -50.58 -50.31 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -46.45 -72.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -54.04 -39.73 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -50.21 -49.42 52.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -109.58 -65.81 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 76' ' ' ALA . 42.5 mt -47.45 -48.12 26.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 105.53 -5.45 40.79 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.494 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.437 HD12 ' CB ' ' A' ' 108' ' ' GLN . 58.6 mt -74.48 103.22 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.812 0.339 . . . . 0.0 111.145 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.9 p -62.24 132.7 94.06 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.685 0.755 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 131.53 21.38 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 2.268 . . . . 0.0 112.365 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 28.4 pt -76.62 -21.45 14.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 68.9 mtm -148.84 168.75 22.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 90' ' ' GLU . 28.8 p -100.72 141.34 33.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.136 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -37.12 -44.89 1.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.524 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -61.45 -40.22 93.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.742 0.306 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 87' ' ' THR . 27.9 mm-40 -67.77 -29.25 68.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.2 ttt -77.95 -23.32 48.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -88.91 -24.23 22.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.3 t -87.78 -46.8 9.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.8 p -56.57 150.93 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -82.41 -34.99 21.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.445 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -163.46 134.78 3.65 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.598 0.713 . . . . 0.0 110.932 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 157.16 61.35 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.701 2.267 . . . . 0.0 112.374 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 99' ' ' LYS . 24.2 t0 -81.08 114.4 19.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 98' ' ' ASP . 18.9 tptm -33.98 -73.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 99' ' ' LYS . 50.3 mt -37.46 -54.74 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.0 m -55.24 -41.89 72.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 99' ' ' LYS . 90.4 mmm -66.3 -61.29 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 85.3 t -47.98 -54.42 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 64.0 mtm -56.28 -71.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -40.74 -47.58 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.516 HD21 ' CH2' ' A' ' 37' ' ' TRP . 71.1 mt -62.38 -39.74 94.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 39.6 m -47.43 -32.99 5.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.437 ' CB ' HD12 ' A' ' 82' ' ' ILE . 41.3 mt-30 -58.52 -43.87 89.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -70.11 -43.06 71.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 114' ' ' LYS . 1.8 t80 -63.88 -63.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.474 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 9.6 mm-40 -45.27 -37.43 4.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 12.5 ttp -72.51 -41.2 66.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -105.65 28.44 7.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 110' ' ' TYR . 14.4 pttp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.883 0.373 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt -45.09 -50.5 11.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.8 tp -58.65 -49.36 77.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.2 tp -44.87 -59.49 2.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -40.39 -53.15 3.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.512 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 57.2 t90 -51.97 -56.08 16.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.765 0.317 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.4 m -56.44 -49.94 73.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -51.67 -40.52 60.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.1 mmt-85 -73.88 -51.92 14.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -61.66 -63.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.413 ' CG2' HD12 ' A' ' 46' ' ' ILE . 82.0 p -46.98 -38.39 10.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 22' ' ' THR . 18.2 t70 -36.91 130.96 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.51 -39.3 2.61 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.458 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -70.03 174.88 4.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.896 0.379 . . . . 0.0 110.925 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.88 137.57 51.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.116 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.15 -38.15 3.08 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.458 ' O ' ' C ' ' A' ' 29' ' ' ASN . 84.2 t -50.35 -67.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.458 ' C ' ' O ' ' A' ' 28' ' ' VAL . 9.9 t-20 33.84 51.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.5 t -44.08 109.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.0 p -106.51 -38.63 6.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -126.22 -175.13 3.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 69.2 mt -121.31 27.21 8.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.2 p -125.02 -66.1 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 37' ' ' TRP . 12.2 ptp -88.44 -41.94 12.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' MET . 5.4 p -37.47 -30.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' MET . 60.9 m95 -98.77 -34.58 10.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 37' ' ' TRP . 5.5 mtpm? -34.33 -44.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.1 p -57.54 -59.6 4.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.07 -42.09 1.47 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.3 mt -42.45 -49.1 5.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.354 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.88 -57.85 8.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 tp -57.23 -47.91 80.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.5 m -60.2 -35.01 74.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.26 -32.09 73.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.058 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.413 HD12 ' CG2' ' A' ' 22' ' ' THR . 37.1 mm -65.86 -51.19 64.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.4 mt -63.14 -44.1 99.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.512 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 9.5 t-80 -66.8 -49.51 65.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' HIS . 14.8 tpt180 -34.03 -52.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.407 ' CE2' ' HB3' ' A' ' 113' ' ' PHE . 7.6 m-85 -87.6 -46.71 9.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.7 mmt-85 -129.83 96.75 25.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.563 0.697 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.512 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.81 -33.67 15.95 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.66 -57.69 9.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 35.7 mt -42.57 -61.53 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.4 tt -121.84 133.4 68.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -98.4 103.73 15.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -72.65 -55.21 7.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -43.68 -41.28 4.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.7 m -67.11 -48.81 67.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.9 mt -52.73 156.11 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.432 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 3.7 m-20 -116.8 139.4 50.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -55.59 -36.92 67.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -57.65 -46.28 84.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.443 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 60.0 m-20 -66.72 113.0 4.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 96.8 t -101.04 -63.36 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -56.14 -38.39 70.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -60.98 -62.33 1.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 64' ' ' ASN . 8.7 m-80 -43.18 -45.0 5.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -68.47 -59.74 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -43.78 -47.29 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.0 tp -59.53 -68.47 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.24 -56.52 5.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.067 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -44.39 -34.47 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -84.82 -60.96 1.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.3 mm -47.47 -54.27 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -41.73 -69.09 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.083 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.421 ' HA ' ' C ' ' A' ' 81' ' ' GLY . 15.8 tt0 -56.78 -40.25 75.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -51.1 -50.01 59.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -106.01 -65.19 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 76' ' ' ALA . 34.4 mt -52.19 -40.19 61.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.421 ' C ' ' HA ' ' A' ' 77' ' ' GLU . . . 102.04 -19.54 48.81 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.546 HG23 ' CE1' ' A' ' 109' ' ' PHE . 73.5 mt -60.94 100.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 111.103 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.8 t -63.24 132.06 94.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.673 0.749 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 127.38 14.51 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.408 HG13 ' N ' ' A' ' 86' ' ' MET . 28.1 pt -65.95 -30.83 51.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.408 ' N ' HG13 ' A' ' 85' ' ' ILE . 6.3 ptp -152.69 159.0 43.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 70.2 p -80.74 150.87 29.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -48.38 -44.52 28.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.524 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.76 -58.13 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.311 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -54.82 -41.47 70.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.7 tpp -57.72 -32.6 67.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.0 -38.37 36.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.6 m -70.04 -54.98 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.8 p -50.56 130.39 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.88 -47.8 87.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.541 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -149.95 134.31 9.22 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.651 0.739 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 172.36 12.82 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.308 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 99' ' ' LYS . 29.9 t0 -94.99 114.98 26.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 98' ' ' ASP . 18.8 tptm -35.12 -50.01 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 15.4 mt -55.25 -65.93 0.5 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 t -46.16 -45.64 16.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 89.8 mmm -60.43 -62.86 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.42 ' CG2' ' HE2' ' A' ' 99' ' ' LYS . 96.3 t -51.19 -57.33 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 41.2 mtm -51.05 -58.8 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -49.6 -61.95 1.83 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 107' ' ' THR . 96.8 mt -49.13 -50.22 38.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 106' ' ' LEU . 35.2 m -33.04 -52.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.417 ' CD ' HG22 ' A' ' 82' ' ' ILE . 54.3 mt-30 -39.98 -58.93 1.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.546 ' CE1' HG23 ' A' ' 82' ' ' ILE . 79.2 m-85 -52.61 -48.44 66.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.516 ' CD1' ' N ' ' A' ' 111' ' ' GLU . 0.8 OUTLIER -56.98 -58.63 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.867 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.516 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 33.9 mt-10 -50.81 -37.9 45.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 19.7 ttp -71.71 -43.38 66.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.407 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 19.9 m-85 -105.93 35.9 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 110' ' ' TYR . 16.9 pttp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 13' ' ' LYS . 16.0 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.899 0.38 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 12' ' ' SER . 40.9 tptt -34.43 -55.49 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.4 tp -55.47 -56.08 24.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.443 ' HB2' ' CD1' ' A' ' 33' ' ' LEU . 17.9 tp -43.69 -59.59 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -36.59 -49.05 1.31 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.428 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 37.1 t90 -52.2 -52.71 50.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.717 0.294 . . . . 0.0 110.912 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 73.4 m -58.88 -54.68 44.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -48.68 -38.09 20.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -76.11 -47.97 22.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -66.59 -64.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.4 p -44.2 -34.4 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -39.9 120.71 1.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.15 -33.68 2.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.473 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -77.32 148.55 35.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.901 0.381 . . . . 0.0 110.936 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.86 126.69 36.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.35 -20.97 27.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 28' ' ' VAL . 97.8 t -82.63 60.86 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 111.102 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 11.3 p-10 -87.28 89.33 7.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.9 t -74.48 98.64 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.8 t -105.55 -20.69 13.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.54 144.46 30.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 15' ' ' LEU . 85.5 mt -84.0 39.85 0.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.2 p -134.8 -63.36 0.7 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.436 ' O ' ' N ' ' A' ' 38' ' ' LYS . 6.4 mtt -85.63 -40.82 15.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.3 m -42.87 -25.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.404 ' N ' ' C ' ' A' ' 35' ' ' MET . 57.7 m95 -102.79 -26.74 13.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 35' ' ' MET . 6.2 mtpm? -47.32 -39.74 15.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.8 p -65.89 -40.82 91.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.16 -34.83 5.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.469 HD21 ' CZ ' ' A' ' 57' ' ' PHE . 97.3 mt -43.41 -62.78 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -35.58 -71.27 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 tp -43.7 -41.33 4.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 44.5 m -66.7 -36.13 81.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.92 -25.78 61.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.052 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.1 mm -67.47 -52.43 41.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.5 mt -64.77 -43.77 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.513 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 26.9 t-80 -63.31 -44.76 94.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.8 tpt85 -37.93 -51.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -90.57 -52.35 4.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.6 mtt-85 -120.73 95.79 48.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.513 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.78 -18.14 37.09 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.316 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -70.03 -55.84 8.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 29.1 mt -41.99 -57.93 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.7 tt -121.41 147.89 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -111.49 105.52 14.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.469 ' CZ ' HD21 ' A' ' 41' ' ' LEU . 35.2 t80 -78.39 -47.44 17.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -48.1 -37.91 16.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 t -74.94 -50.68 15.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.7 mt -49.95 169.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -140.13 154.41 46.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -70.9 -37.78 72.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -55.33 -31.4 61.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -89.6 114.99 26.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 87.2 t -101.04 -68.51 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -45.18 -34.9 2.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 68' ' ' ASN . 5.9 mptt -66.36 -75.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 67' ' ' LYS . 13.3 m-80 -34.88 -45.07 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -62.88 -61.94 2.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -45.7 -42.66 11.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.5 tp -58.35 -69.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.03 -56.84 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -46.0 -25.39 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -94.22 -61.46 1.52 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.2 mm -48.4 -48.45 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.104 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -47.64 -71.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -51.96 -36.68 50.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -58.07 -47.31 83.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -107.63 -70.17 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 76' ' ' ALA . 20.5 mt -47.68 -32.18 5.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.3 8.79 84.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.487 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.452 HG23 ' CB ' ' A' ' 108' ' ' GLN . 87.7 mt -86.82 111.43 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.872 0.368 . . . . 0.0 111.124 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.8 m -67.04 130.63 93.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.636 0.731 . . . . 0.0 110.848 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 137.32 35.06 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.654 2.236 . . . . 0.0 112.371 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.9 pt -86.69 -23.88 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 58.9 mtm -137.15 169.35 17.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 39.6 p -110.77 146.38 36.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.44 -47.24 3.69 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.5 -58.88 6.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -52.62 -31.64 37.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 3.5 tpp -69.82 -42.64 73.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.52 -17.06 60.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 m -87.14 -45.56 10.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.98 141.51 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.112 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.3 -29.91 59.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -169.48 130.52 1.01 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.898 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.446 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 53.8 Cg_endo -69.73 164.38 34.72 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.377 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -90.34 129.79 36.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.829 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -45.98 -60.61 2.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 61.3 mt -47.78 -66.47 0.4 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.4 m -44.08 -55.75 4.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.446 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 87.3 mmm -52.15 -63.8 1.02 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.9 t -46.15 -51.81 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 17.4 mtt -52.96 -56.26 17.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -57.01 -58.84 6.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 109' ' ' PHE . 21.8 mt -47.6 -48.99 28.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 106' ' ' LEU . 99.2 m -34.06 -49.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.452 ' CB ' HG23 ' A' ' 82' ' ' ILE . 53.7 mt-30 -47.78 -46.58 30.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' A' ' 106' ' ' LEU . 65.9 m-85 -65.1 -32.01 73.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.519 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 1.6 t80 -75.71 -63.89 1.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.519 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 45.5 mt-10 -46.39 -25.05 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 47.0 tpp -76.48 -35.85 58.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.428 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 29.8 m-85 -123.49 29.69 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 110' ' ' TYR . 44.7 pttt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.999 0.428 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.38 -53.73 16.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.946 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.445 HD23 ' CB ' ' A' ' 106' ' ' LEU . 13.7 tp -60.38 -46.54 89.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 16' ' ' GLY . 23.7 tp -46.47 -63.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -34.35 -55.48 0.75 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.492 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.489 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 53.7 t90 -47.41 -55.79 8.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.764 0.316 . . . . 0.0 110.931 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 81.4 m -57.49 -50.03 74.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -49.28 -38.7 28.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -78.83 -49.76 12.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -60.38 -62.48 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' ASP . 66.6 p -48.94 -43.66 39.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' THR . 7.2 t70 -36.71 133.48 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.02 -37.56 3.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -61.54 -178.62 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.913 0.387 . . . . 0.0 110.91 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.19 109.24 18.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.46 21.97 57.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.503 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.6 t -115.88 72.83 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 111.156 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -98.18 111.31 23.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.409 HG11 ' CD1' ' A' ' 15' ' ' LEU . 53.8 t -89.99 111.7 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.4 p -111.71 -39.04 4.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -142.96 139.71 30.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.7 mt -75.67 48.26 0.45 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.2 p -135.03 -72.49 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' LYS . 32.0 mtp -84.98 -46.58 11.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 35' ' ' MET . 12.9 t -35.87 -33.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.493 ' CH2' HD23 ' A' ' 106' ' ' LEU . 48.6 m95 -93.91 -37.92 11.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.949 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 35' ' ' MET . 5.0 mtpm? -34.4 -40.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.3 p -60.38 -54.29 47.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.26 -39.79 2.21 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.524 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.7 mt -44.5 -65.23 0.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -39.27 -54.7 1.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.7 tp -56.56 -41.02 76.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 72.7 m -67.43 -34.73 77.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.24 -27.83 67.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.4 mm -65.64 -63.3 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.1 mt -57.51 -42.72 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 49' ' ' ARG . 33.2 t-80 -62.4 -49.69 74.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 48' ' ' HIS . 10.4 ttt85 -34.73 -59.88 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.427 ' CZ ' ' HB3' ' A' ' 113' ' ' PHE . 24.0 m-85 -78.86 -52.47 8.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 25.1 mtt-85 -123.82 96.25 43.21 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.602 0.715 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -27.23 26.73 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -59.34 -56.86 16.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 24.0 mt -40.4 -62.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.8 tt -115.77 132.6 64.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -93.96 96.73 9.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -70.96 -44.52 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.71 -34.46 52.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.2 m -74.8 -46.44 36.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.797 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.6 mt -53.93 166.33 0.37 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -138.08 147.24 43.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 63' ' ' GLN . 11.3 pt-20 -56.81 -43.3 80.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.448 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 14.4 pt20 -56.83 -28.47 61.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -80.98 115.44 20.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.9 t -106.85 -67.4 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -50.98 -37.1 42.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 68' ' ' ASN . 46.4 tttt -66.2 -69.17 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 67' ' ' LYS . 11.3 m-80 -34.89 -44.15 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -74.48 -58.21 3.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -43.07 -44.8 5.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.73 -68.04 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -40.5 -57.41 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -45.56 -34.24 3.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -86.15 -61.72 1.68 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.6 mm -45.1 -51.75 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -45.78 -73.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.073 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -46.23 59.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -44.0 -56.49 3.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -100.4 -64.61 1.03 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 76' ' ' ALA . 19.7 mt -50.6 -58.29 6.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 113.87 0.22 24.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.407 HG21 ' CD ' ' A' ' 108' ' ' GLN . 66.2 mt -78.56 98.4 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.843 0.354 . . . . 0.0 111.115 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.3 p -59.12 132.28 87.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.721 0.772 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.37 53.82 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.707 2.271 . . . . 0.0 112.345 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.6 pt -90.67 -22.62 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 67.9 mtm -144.83 168.33 20.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 88' ' ' GLY . 2.4 p -102.25 141.67 34.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.08 -50.74 1.21 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -55.54 -44.57 76.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 87' ' ' THR . 4.8 mm-40 -64.86 -35.92 82.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.6 tpp -66.02 -48.74 70.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.63 -31.93 70.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.6 m -74.11 -55.39 6.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.42 HG21 ' N ' ' A' ' 95' ' ' GLY . 7.4 p -49.83 149.54 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.42 ' N ' HG21 ' A' ' 94' ' ' VAL . . . -79.67 -40.62 14.59 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -160.9 132.33 3.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 110.872 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 176.02 7.37 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.695 2.264 . . . . 0.0 112.316 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -101.94 124.99 48.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -39.35 -67.5 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 54.5 mt -42.53 -64.75 0.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 m -44.32 -55.99 4.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.811 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 93.0 mmm -52.95 -63.91 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 72.7 t -46.74 -64.13 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.177 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 9.4 mtm -42.66 -54.62 3.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -57.68 -66.61 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.493 HD23 ' CH2' ' A' ' 37' ' ' TRP . 61.1 mt -40.52 -50.01 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 106' ' ' LEU . 92.2 m -34.03 -57.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 107' ' ' THR . 63.1 mt-30 -34.9 -47.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -65.47 -50.27 65.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' A' ' 111' ' ' GLU . 1.0 OUTLIER -58.92 -62.57 1.78 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.84 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.563 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 7.9 mm-40 -44.63 -22.42 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.6 ttp -91.2 -31.01 16.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.489 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 24.2 m-85 -115.88 31.36 6.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.952 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.923 0.392 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -37.8 -47.6 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.8 tp -61.87 -51.99 65.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.47 HD13 ' CD2' ' A' ' 33' ' ' LEU . 20.0 tp -43.75 -56.38 3.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -37.97 -60.27 1.31 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.458 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.535 ' CE2' ' HG3' ' A' ' 21' ' ' GLN . 6.0 t90 -46.2 -71.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.489 ' O ' ' CG2' ' A' ' 22' ' ' THR . 84.4 m -33.9 -46.55 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -64.53 -49.49 71.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' TRP . 35.0 mtt85 -60.55 -47.9 84.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.579 ' N ' ' CD ' ' A' ' 21' ' ' GLN . 1.2 mm100 -66.5 -58.58 4.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 59.1 p -51.52 -45.39 62.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 22' ' ' THR . 6.9 t70 -35.18 120.54 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.48 -33.42 3.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.483 ' CE2' ' HB3' ' A' ' 45' ' ' ALA . 19.2 m-85 -65.54 -175.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.388 . . . . 0.0 110.92 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.21 108.23 14.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.066 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.82 19.5 59.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.9 t -114.45 64.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.865 0.364 . . . . 0.0 111.177 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -89.15 110.42 21.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 81.2 t -89.16 108.38 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.5 p -119.65 -22.63 6.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -135.34 170.51 15.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.47 ' CD2' HD13 ' A' ' 15' ' ' LEU . 78.4 mt -116.12 28.77 8.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.9 p -132.08 -59.34 0.94 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.47 ' O ' ' N ' ' A' ' 37' ' ' TRP . 8.3 mmt -87.04 -48.67 7.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.8 t -40.14 -25.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.56 ' CH2' HD23 ' A' ' 106' ' ' LEU . 69.7 m95 -100.45 -33.77 10.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 35' ' ' MET . 3.2 mtpt -38.23 -35.74 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.4 p -65.11 -54.81 24.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.816 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.33 -40.71 2.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.455 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 92.6 mt -39.3 -66.87 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -33.79 -67.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.059 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.5 tp -44.06 -39.78 4.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' LEU . 27.1 m -69.41 -39.18 78.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.483 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . . . -64.44 -27.47 69.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.5 mm -66.21 -62.51 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 80.6 mt -54.37 -45.27 68.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 49' ' ' ARG . 43.1 t-80 -66.67 -47.18 73.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 48' ' ' HIS . 26.7 tpt85 -34.28 -48.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -98.68 -48.04 5.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.8 mtt85 -120.56 96.05 48.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.652 0.739 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -29.92 22.97 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.324 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' LEU . 8.3 t70 -56.27 -64.25 0.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' ASP . 12.7 mt -37.07 -62.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.9 tt -116.72 129.47 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -99.04 97.32 8.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.455 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 32.2 t80 -65.41 -38.22 89.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -45.15 -45.66 11.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -70.0 -53.56 17.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.791 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 75.4 mt -51.84 154.28 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -127.91 179.62 5.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -85.03 -24.58 28.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -72.94 -28.46 62.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.451 ' HB2' ' ND2' ' A' ' 68' ' ' ASN . 81.2 m-20 -79.25 115.43 18.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.3 t -105.13 -64.3 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -56.57 -42.42 78.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -61.3 -62.33 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.451 ' ND2' ' HB2' ' A' ' 64' ' ' ASN . 4.6 m-80 -41.42 -30.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -85.46 -64.14 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -39.97 -40.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.7 tp -64.86 -67.81 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.15 -52.29 7.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -51.92 -30.65 25.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -87.89 -64.03 1.21 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 16.5 mm -45.09 -49.94 2.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -44.55 -73.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -53.69 -43.15 68.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -45.04 -52.65 8.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -106.38 -63.34 1.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 76' ' ' ALA . 33.5 mt -51.05 -51.87 48.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.89 -7.39 29.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 89.5 mt -73.62 103.6 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.337 . . . . 0.0 111.115 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.6 m -66.72 131.43 94.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.652 0.739 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 131.61 21.56 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.706 2.27 . . . . 0.0 112.33 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.4 pt -75.18 -22.49 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 7.2 ptp -146.21 167.16 24.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 90' ' ' GLU . 71.9 p -100.5 139.11 36.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.51 -38.09 0.25 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -64.26 -44.8 90.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.739 0.304 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 87' ' ' THR . 5.6 mm-40 -65.77 -21.0 66.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.7 tpp -85.31 -29.83 24.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.53 -38.11 35.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.8 t -74.27 -55.39 6.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.4 p -50.41 135.04 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.5 -41.43 99.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.455 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -160.87 138.3 6.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.623 0.725 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -171.9 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.718 2.278 . . . . 0.0 112.352 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.85 122.37 47.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -40.69 -54.38 2.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.8 mt -54.37 -73.5 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.6 m -39.32 -52.13 2.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 87.9 mmm -53.77 -62.29 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.2 t -50.32 -53.13 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 75.9 mtp -51.72 -62.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -46.92 -62.65 1.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.56 HD23 ' CH2' ' A' ' 37' ' ' TRP . 17.5 mt -45.57 -48.04 14.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.961 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 106' ' ' LEU . 19.1 m -34.86 -39.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -52.75 -51.81 59.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -61.64 -58.64 7.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.529 ' HA ' ' CZ3' ' A' ' 17' ' ' TRP . 3.2 t80 -45.32 -62.7 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.945 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -54.37 -19.23 5.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 9.9 tpp -78.32 -33.99 48.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -126.34 31.91 5.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 12.8 pttp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.969 0.414 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.05 -43.29 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.1 tp -58.72 -55.43 35.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.416 ' CD1' HD21 ' A' ' 33' ' ' LEU . 14.5 tp -39.56 -55.2 1.88 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.32 -60.82 3.92 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 37.7 t90 -37.53 -49.51 1.07 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.777 0.322 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.3 m -63.66 -43.55 96.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -58.26 -42.58 86.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -75.23 -44.33 46.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -63.82 -60.81 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 23' ' ' ASP . 79.8 p -53.92 -37.66 64.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 22' ' ' THR . 28.1 t70 -34.15 112.66 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.77 -35.13 1.81 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.436 ' HB3' ' CG2' ' A' ' 28' ' ' VAL . 44.7 m-85 -82.77 164.57 20.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.908 0.385 . . . . 0.0 110.885 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.7 122.39 33.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.13 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.406 ' O ' ' OD1' ' A' ' 29' ' ' ASN . . . 81.44 -34.36 2.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.523 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.473 ' O ' ' C ' ' A' ' 29' ' ' ASN . 91.6 t -48.81 -23.81 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.362 . . . . 0.0 111.153 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.473 ' C ' ' O ' ' A' ' 28' ' ' VAL . 8.2 p-10 -31.62 98.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.1 t -69.33 125.26 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 34.6 p -115.65 -39.38 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.18 -175.86 3.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.416 HD21 ' CD1' ' A' ' 15' ' ' LEU . 29.4 mt -126.56 29.38 5.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -133.83 -56.9 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.3 mtp -92.03 -35.22 14.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.8 p -44.03 -33.55 1.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.526 ' CE2' HD13 ' A' ' 106' ' ' LEU . 50.2 m95 -94.45 -36.26 11.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 37' ' ' TRP . 5.3 mtpm? -33.52 -38.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 37' ' ' TRP . 20.4 p -64.59 -60.52 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.41 -41.7 1.52 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.4 mt -40.18 -57.65 1.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.15 -67.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.413 HD13 ' CZ ' ' A' ' 109' ' ' PHE . 48.6 tp -45.24 -42.31 9.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 60.4 m -64.36 -41.96 96.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.61 -29.29 70.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.6 mm -64.18 -50.36 77.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.3 mt -68.93 -39.74 80.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.562 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 7.3 t-80 -66.35 -53.86 31.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.818 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 48' ' ' HIS . 21.3 tpp180 -33.34 -51.5 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' A' ' 113' ' ' PHE . 10.8 m-85 -86.79 -50.93 6.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -127.07 96.23 34.85 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.581 0.705 . . . . 0.0 110.851 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.562 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.72 -37.74 8.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.363 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.475 ' CG ' ' N ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -50.41 -50.88 50.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.475 ' N ' ' CG ' ' A' ' 53' ' ' ASP . 47.1 mt -48.44 -67.29 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.5 tt -112.4 134.46 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -100.6 106.93 18.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -71.83 -51.8 20.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.415 ' C ' ' OD1' ' A' ' 58' ' ' ASP . 20.1 t0 -47.01 -44.08 20.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 p -61.28 -43.84 98.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.819 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.39 159.68 12.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -129.48 126.1 37.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 63' ' ' GLN . 12.1 pt-20 -40.43 -45.62 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.402 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 16.1 mm-40 -48.01 -44.66 31.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.481 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 15.9 m-20 -73.01 111.57 8.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.2 t -93.94 -65.47 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -49.85 -54.53 18.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -44.71 -65.68 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 64' ' ' ASN . 6.4 m-80 -38.88 -42.36 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -72.53 -63.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -39.54 -46.23 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.9 tp -58.57 -69.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.78 -58.58 2.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -43.23 -34.63 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -84.61 -61.16 1.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 51.0 mm -46.65 -53.53 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -47.72 -67.41 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.405 ' HA ' ' N ' ' A' ' 82' ' ' ILE . 52.6 tt0 -53.21 -38.47 62.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -55.35 -55.67 28.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -99.39 -69.14 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 76' ' ' ALA . 32.2 mt -45.24 -40.74 7.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.27 26.34 28.53 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.405 ' N ' ' HA ' ' A' ' 77' ' ' GLU . 87.2 mt -105.96 99.82 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 111.085 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.9 t -55.22 132.96 69.27 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.697 0.761 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 143.46 50.79 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.657 2.238 . . . . 0.0 112.357 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.467 HG13 ' N ' ' A' ' 86' ' ' MET . 37.9 pt -84.67 -37.66 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.467 ' N ' HG13 ' A' ' 85' ' ' ILE . 71.1 mtm -135.68 166.17 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 32.4 p -95.44 148.02 22.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -43.2 -48.34 6.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.437 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -60.5 -47.05 87.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.744 0.307 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -62.5 -38.06 88.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.1 tpt -62.57 -42.94 99.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.17 -36.56 54.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.7 t -67.66 -47.24 70.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.6 p -57.52 141.22 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -72.16 -42.93 49.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -159.01 129.63 3.62 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.608 0.718 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -176.36 1.48 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.646 2.231 . . . . 0.0 112.33 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 99' ' ' LYS . 10.6 t0 -104.96 120.42 41.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 98' ' ' ASP . 4.0 tmtm? -37.94 -53.04 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.7 mt -56.1 -65.74 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.1 m -43.89 -51.37 7.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 89.6 mmm -55.24 -58.38 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 72.8 t -54.68 -61.4 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 38.1 mtt -43.97 -51.25 7.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.402 ' CD1' HG21 ' A' ' 85' ' ' ILE . 80.5 t80 -57.53 -66.39 0.47 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.526 HD13 ' CE2' ' A' ' 37' ' ' TRP . 26.6 mt -44.98 -51.17 10.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.956 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 106' ' ' LEU . 98.5 m -31.35 -44.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -49.29 -56.16 10.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.413 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 91.1 m-85 -54.28 -56.82 14.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.403 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 2.0 t80 -51.51 -61.2 2.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.403 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 18.3 mt-10 -51.42 -29.14 14.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 24.7 ttm -75.67 -46.36 31.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.548 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 32.9 m-85 -107.78 37.17 2.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 47.1 pttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.917 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 13' ' ' LYS . 2.4 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.937 0.398 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 12' ' ' SER . 41.7 mmtt -34.34 -39.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.4 tp -66.53 -57.01 8.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.948 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' GLY . 50.5 tp -44.1 -63.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -36.05 -59.62 0.92 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 52.5 t90 -46.0 -57.58 4.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.745 0.307 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.8 m -56.92 -39.85 75.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -58.24 -42.34 86.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -76.54 -45.23 31.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -62.88 -60.47 3.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.419 ' CG2' HD13 ' A' ' 46' ' ' ILE . 58.0 p -53.5 -36.84 62.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -41.09 133.56 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.807 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.22 -36.83 3.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.53 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.555 ' CD2' ' HB2' ' A' ' 45' ' ' ALA . 14.7 m-85 -59.1 -175.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.912 0.386 . . . . 0.0 110.928 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -109.35 122.47 47.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.95 34.82 80.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.469 ' O ' ' CG1' ' A' ' 28' ' ' VAL . 53.4 t -120.81 67.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 111.169 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -91.55 96.96 10.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.3 t -79.65 96.39 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.176 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.0 t -104.84 -29.84 10.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -115.27 -174.97 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.2 mt -128.88 16.67 6.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.88 -58.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.2 ptp -87.42 -27.44 22.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.4 t -56.68 -30.99 64.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.508 ' CE2' HD13 ' A' ' 106' ' ' LEU . 61.2 m95 -95.55 -29.19 14.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 37' ' ' TRP . 15.3 mtpt -36.53 -41.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.08 -44.55 91.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 37' ' ' TRP . . . 111.11 -43.66 1.67 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.505 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 42' ' ' ALA . 79.8 mt -38.1 -66.13 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.808 0.337 . . . . 0.0 110.895 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -37.12 -61.76 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.6 tp -48.51 -42.1 32.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 65.7 m -68.43 -37.0 79.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.555 ' HB2' ' CD2' ' A' ' 25' ' ' TYR . . . -66.05 -29.34 69.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.419 HD13 ' CG2' ' A' ' 22' ' ' THR . 49.2 mm -66.11 -62.27 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.458 HG12 ' CD1' ' A' ' 80' ' ' LEU . 53.3 mt -56.4 -47.31 81.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.551 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 29.4 t-80 -61.5 -47.21 86.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 48' ' ' HIS . 17.9 tpt180 -34.41 -55.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -89.34 -49.54 6.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -120.98 95.99 48.73 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.567 0.699 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.551 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.83 -37.99 8.26 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -51.19 -59.36 4.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 44.3 mt -38.82 -65.15 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.5 tt -114.25 128.52 71.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -94.97 105.65 17.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -75.86 -42.8 48.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -48.11 -47.28 34.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.6 t -65.56 -47.01 77.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.9 mt -54.32 148.06 12.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.469 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 9.6 m-20 -118.76 131.05 56.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.447 ' HG2' ' N ' ' A' ' 63' ' ' GLN . 1.1 pm0 -44.58 -40.72 5.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.447 ' N ' ' HG2' ' A' ' 62' ' ' GLU . 5.5 mm-40 -55.47 -46.43 76.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.469 ' ND2' ' HB2' ' A' ' 61' ' ' ASP . 21.6 m-20 -66.45 116.21 7.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 77.6 t -102.04 -62.14 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -52.97 -41.61 64.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -60.07 -65.74 0.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 64' ' ' ASN . 9.0 m-80 -38.73 -40.05 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -74.43 -64.0 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -41.33 -42.55 2.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 48.3 tp -64.8 -67.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.951 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.71 -55.96 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -46.01 -39.67 9.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -79.27 -64.41 1.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.825 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.9 mm -43.82 -54.35 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -42.56 -67.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.05 -38.61 73.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt -54.27 -50.11 68.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -104.42 -65.01 1.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.508 ' N ' ' O ' ' A' ' 76' ' ' ALA . 28.2 mt -51.54 -42.6 61.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 103.24 -18.88 47.59 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 71.2 mt -63.33 103.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 111.145 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.9 t -64.41 131.37 95.04 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.632 0.73 . . . . 0.0 110.841 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 127.08 14.11 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.258 . . . . 0.0 112.327 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.514 HG21 ' CD1' ' A' ' 105' ' ' TYR . 42.5 pt -63.0 -33.1 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.403 ' N ' HG13 ' A' ' 85' ' ' ILE . 5.6 ptp -146.54 170.14 17.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 49.8 p -92.62 145.21 24.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -38.55 -44.05 1.69 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.455 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.414 ' HD2' ' C ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -56.57 -51.95 66.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.704 0.288 . . . . 0.0 110.874 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -58.13 -37.04 73.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.3 tpt -67.58 -34.85 77.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.23 -39.98 38.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.7 p -68.83 -53.68 20.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.9 p -50.73 134.65 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.148 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.05 -35.95 91.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -167.33 132.53 1.64 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 110.921 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 178.51 4.5 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.36 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 99' ' ' LYS . 22.5 t70 -101.28 117.33 34.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.803 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -34.26 -52.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.5 mt -52.05 -64.27 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.1 p -47.22 -54.77 9.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 85.1 mmm -51.89 -55.76 18.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 84.2 t -56.52 -63.22 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 21.7 mtm -44.9 -52.65 8.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.514 ' CD1' HG21 ' A' ' 85' ' ' ILE . 82.2 t80 -59.57 -62.96 1.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.508 HD13 ' CE2' ' A' ' 37' ' ' TRP . 49.6 mt -44.03 -45.39 7.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 92.3 m -39.16 -48.29 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -44.96 -43.42 9.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -67.71 -50.52 57.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.408 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 2.0 t80 -55.46 -61.81 2.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.408 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 11.4 mm-40 -49.11 -28.25 4.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.3 ttm -68.18 -48.59 64.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -114.97 36.12 4.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 13' ' ' LYS . 7.9 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.944 0.402 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 12' ' ' SER . 14.6 mtpt -37.07 -50.7 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 tp -62.51 -51.61 66.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 16' ' ' GLY . 47.6 tp -42.0 -62.69 0.87 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -34.7 -56.37 0.79 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.506 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 52.3 t90 -46.24 -55.09 7.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.754 0.312 . . . . 0.0 110.957 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.7 m -58.74 -47.58 84.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -57.84 -21.08 40.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -93.1 -45.17 8.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -71.23 -54.34 11.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.1 p -60.93 -12.61 11.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -59.17 122.65 14.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.93 -37.35 2.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.525 ' CD2' ' HB1' ' A' ' 45' ' ' ALA . 38.8 m-85 -65.03 167.83 7.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.932 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -110.14 133.22 53.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.084 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.23 -31.79 4.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 29' ' ' ASN . 49.6 t -60.21 -69.24 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.819 0.343 . . . . 0.0 111.118 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 28' ' ' VAL . 6.2 p-10 35.82 52.03 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.2 t -40.39 114.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.8 t -123.92 5.43 8.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -162.62 179.05 8.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.8 mt -118.09 22.55 12.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.9 p -128.25 -74.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.3 mtp -74.05 -42.59 60.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 m -44.35 -29.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.498 ' CZ3' HD21 ' A' ' 106' ' ' LEU . 61.0 m95 -98.95 -33.81 10.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 37' ' ' TRP . 5.0 mtpm? -35.3 -53.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.1 t -49.12 -47.69 45.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' TRP . . . 114.52 -37.14 3.65 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.487 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.488 HD23 ' CE1' ' A' ' 57' ' ' PHE . 85.3 mt -45.25 -45.37 11.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.12 -65.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.5 tp -50.97 -47.71 61.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.3 m -57.75 -38.89 76.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.525 ' HB1' ' CD2' ' A' ' 25' ' ' TYR . . . -67.36 -17.63 64.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.8 mm -80.14 -40.33 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 66.2 mt -74.53 -40.83 48.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -71.57 -45.31 62.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -38.1 -46.68 1.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -93.97 -50.95 5.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 mtt85 -123.05 94.96 46.64 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.579 0.704 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 55' ' ' ILE . 53.1 Cg_endo -69.75 -18.45 37.07 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.312 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.487 ' CG ' ' N ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -68.95 -51.59 38.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.487 ' N ' ' CG ' ' A' ' 53' ' ' ASP . 12.8 mt -48.02 -60.99 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.4 ' O ' ' O ' ' A' ' 52' ' ' PRO . 5.1 tt -115.91 151.35 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -117.0 107.03 14.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.488 ' CE1' HD23 ' A' ' 41' ' ' LEU . 50.4 t80 -74.63 -48.93 23.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -44.42 -39.91 5.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.6 t -73.08 -46.29 52.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.9 mt -56.15 163.1 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -133.83 156.05 48.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -66.95 -43.71 82.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -52.55 -44.62 65.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -68.38 115.21 7.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.1 t -104.75 -64.92 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 89' ' ' LYS . 22.9 tt0 -53.06 -45.06 67.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -56.15 -66.09 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -38.36 -45.17 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -68.22 -62.02 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -40.95 -40.04 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.3 tp -65.59 -65.27 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.52 -51.81 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -52.31 -28.59 19.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -87.97 -58.55 2.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.8 mm -53.01 -51.51 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -47.78 -68.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -55.99 -33.78 65.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -59.42 -48.46 81.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -106.95 -63.72 1.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 76' ' ' ALA . 30.2 mt -52.72 -35.7 56.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.19 -8.06 80.69 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.542 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 94.8 mt -68.1 109.05 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.342 . . . . 0.0 111.143 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t -63.97 132.71 95.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.65 0.738 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 152.03 69.2 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.565 HG21 ' CD1' ' A' ' 105' ' ' TYR . 30.8 pt -95.7 -21.89 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.0 ptp -162.46 160.82 26.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 90' ' ' GLU . 29.6 p -87.01 143.26 27.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.51 -44.33 0.86 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 15.3 tttt -62.53 -45.26 93.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.74 0.305 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 87' ' ' THR . 9.1 mm-40 -65.79 -17.05 64.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.4 tpp -91.14 -29.01 17.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.98 -5.22 51.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.2 m -108.03 -38.7 5.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.801 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.4 p -52.88 -15.43 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.71 -38.89 2.34 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -166.27 130.92 1.74 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.669 0.747 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.401 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 53.5 Cg_endo -69.79 -172.09 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.731 2.287 . . . . 0.0 112.331 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -118.23 125.84 50.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -40.93 -51.49 3.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.5 mt -54.95 -72.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 t -41.83 -51.93 4.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.401 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 89.0 mmm -53.83 -65.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 85.7 t -47.59 -61.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 9.3 mtt -49.25 -69.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.565 ' CD1' HG21 ' A' ' 85' ' ' ILE . 62.7 t80 -39.54 -50.88 2.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.498 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 58.9 mt -57.7 -49.28 77.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 106' ' ' LEU . 93.3 m -36.71 -35.31 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -56.87 -49.11 76.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -64.69 -43.53 93.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.449 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 3.1 t80 -60.87 -67.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.449 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 36.2 mt-10 -44.5 -30.74 0.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 29.0 tpp -73.97 -37.48 64.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 110' ' ' TYR . 28.0 m-85 -109.72 23.12 14.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.0 pttp . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.951 0.405 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.33 -45.35 17.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.1 tp -64.49 -54.17 36.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.8 tp -41.69 -56.03 2.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.52 -52.56 6.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.45 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 50.6 t90 -51.35 -52.9 41.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.727 0.299 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.5 ' O ' ' CG2' ' A' ' 22' ' ' THR . 63.6 m -59.42 -43.51 93.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -59.97 -48.51 81.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 20' ' ' ARG . 5.8 mmm180 -65.9 -50.74 63.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -61.73 -61.57 2.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 45.2 p -49.28 -43.28 43.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -40.23 110.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.04 -27.51 2.78 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -72.53 -179.88 3.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.905 0.383 . . . . 0.0 110.913 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.24 133.99 47.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 51.73 30.46 28.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.1 t -120.87 76.55 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 111.109 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -102.15 99.78 9.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.1 t -83.06 92.62 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 t -104.84 12.22 32.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -166.99 -175.03 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.6 mt -125.89 31.09 5.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.2 p -133.74 -74.46 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.2 ptm -81.5 -22.04 38.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.3 m -59.92 -24.92 64.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.473 ' CZ3' HD23 ' A' ' 106' ' ' LEU . 36.6 m95 -106.94 -28.24 10.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 37' ' ' TRP . 7.7 mtpm? -36.47 -47.69 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.9 t -49.43 -53.76 21.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.51 -29.7 6.02 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 42' ' ' ALA . 89.1 mt -55.06 -63.7 1.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.797 0.332 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -36.54 -62.53 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.6 tp -46.96 -42.46 17.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 71.4 m -70.98 -30.47 66.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.75 -22.14 63.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.8 mm -74.0 -62.33 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 81.5 mt -54.64 -42.16 59.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 45.2 t-80 -68.35 -47.42 67.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' HIS . 19.1 tpt85 -37.0 -50.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -88.69 -52.83 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -121.27 95.74 48.39 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.648 0.737 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.79 -11.94 31.82 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -73.18 -55.57 6.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.3 mt -44.21 -58.73 2.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.6 tt -122.0 142.75 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -109.36 105.96 15.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -74.33 -44.9 50.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -48.27 -39.31 21.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.4 t -74.4 -43.96 54.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.9 mt -57.38 158.93 5.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.415 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 1.8 m-20 -127.59 150.92 49.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -67.11 -38.49 85.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -55.71 -26.19 43.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.415 ' ND2' ' HB2' ' A' ' 61' ' ' ASP . 31.5 m-20 -89.98 115.24 27.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 96.5 t -102.21 -67.46 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -48.31 -35.67 12.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 68' ' ' ASN . 38.4 tptt -65.7 -71.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 67' ' ' LYS . 8.7 m-80 -35.42 -38.09 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -75.18 -62.19 1.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.415 ' C ' ' CD ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -45.11 -49.54 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.6 tp -52.27 -67.22 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.66 -54.8 3.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -47.91 -33.17 7.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -86.42 -59.93 2.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 30.4 mm -47.66 -52.77 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -43.17 -72.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -53.19 -45.45 68.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -44.55 -57.57 3.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -98.91 -63.76 1.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 76' ' ' ALA . 19.6 mt -52.47 -53.51 44.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 109.68 -9.31 32.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.447 HG22 ' CB ' ' A' ' 108' ' ' GLN . 97.4 mt -70.35 110.94 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 111.197 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t -66.96 131.92 93.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.654 0.74 . . . . 0.0 110.837 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 157.04 61.64 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.548 HG22 ' CD1' ' A' ' 105' ' ' TYR . 18.0 pt -99.08 -32.92 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.072 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.458 ' SD ' ' CG1' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -134.22 173.72 11.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 90' ' ' GLU . 1.3 p -112.54 145.13 40.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -35.89 -45.15 0.79 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.497 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.4 tptp -63.07 -43.39 98.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.713 0.292 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 87' ' ' THR . 28.6 mm-40 -69.36 -16.14 63.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.5 ttt -92.28 -26.13 18.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -86.81 -27.23 23.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.059 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.3 m -86.39 -51.22 6.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.4 p -52.08 136.24 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.52 -40.49 90.96 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.412 ' CG ' ' HD2' ' A' ' 97' ' ' PRO . 25.4 tt0 -159.8 137.65 7.28 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.619 0.723 . . . . 0.0 110.894 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.469 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 53.7 Cg_endo -69.73 169.23 19.36 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -93.87 121.19 35.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -39.29 -52.6 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 82.5 mt -53.72 -73.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 t -39.29 -51.91 2.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.469 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 88.5 mmm -53.77 -64.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.2 t -52.3 -61.78 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 40.1 mtp -47.61 -44.51 26.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.548 ' CD1' HG22 ' A' ' 85' ' ' ILE . 34.6 t80 -64.67 -66.67 0.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.473 HD23 ' CZ3' ' A' ' 37' ' ' TRP . 49.1 mt -43.01 -43.72 4.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 98.7 m -40.59 -41.84 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.447 ' CB ' HG22 ' A' ' 82' ' ' ILE . 62.2 mt-30 -50.84 -43.18 59.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -69.36 -46.59 66.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.489 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 2.1 t80 -58.21 -65.61 0.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.489 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 16.3 mm-40 -43.09 -34.62 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 60.2 ttm -75.08 -43.25 54.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.45 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 22.8 m-85 -105.06 34.73 3.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.1 pttp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.934 0.397 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -45.93 -43.17 13.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.8 tp -67.3 -55.2 14.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.1 tp -40.79 -50.66 3.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.58 -50.07 14.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.457 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.461 ' CZ2' ' HG3' ' A' ' 21' ' ' GLN . 62.6 t90 -55.15 -43.42 74.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.745 0.307 . . . . 0.0 110.929 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 66.1 m -64.33 -39.91 94.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -66.09 -29.75 70.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -85.25 -40.63 16.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.461 ' HG3' ' CZ2' ' A' ' 17' ' ' TRP . 34.6 mm-40 -72.46 -50.04 29.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.4 p -72.73 2.98 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -69.7 122.48 19.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.13 -37.66 2.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.507 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 32.9 m-85 -60.49 175.94 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.378 . . . . 0.0 110.931 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.82 130.29 55.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.64 -32.51 4.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.461 ' CG1' HG21 ' A' ' 30' ' ' VAL . 98.9 t -61.86 -69.1 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 111.15 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 28' ' ' VAL . 44.2 t30 34.83 52.66 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.461 HG21 ' CG1' ' A' ' 28' ' ' VAL . 42.9 t -38.85 126.78 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.5 -38.02 1.36 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -105.24 -175.83 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.7 mt -124.35 4.97 8.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.5 p -119.24 -75.31 0.58 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.522 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 73.4 mtp -71.2 -28.43 64.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.0 t -47.37 -24.06 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.561 ' CH2' HD21 ' A' ' 106' ' ' LEU . 4.8 m95 -112.69 -13.06 13.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.522 ' CG ' ' HA ' ' A' ' 35' ' ' MET . 7.6 mmmt -47.37 -31.84 4.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.7 p -78.99 -32.08 45.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.65 -36.24 4.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.527 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.7 mt -41.67 -49.22 4.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 110.949 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.77 -64.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.3 tp -50.06 -40.87 46.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 68' ' ' ASN . 88.0 m -68.51 -35.99 78.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.507 ' HB1' ' CE2' ' A' ' 25' ' ' TYR . . . -68.25 -31.39 70.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.064 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.09 -58.5 7.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.2 mt -57.4 -44.57 84.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.427 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 11.6 t-80 -62.29 -51.25 68.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.442 ' N ' ' OH ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -36.37 -62.44 0.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -75.95 -46.97 27.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -128.45 94.7 34.85 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.427 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.81 -24.62 29.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.326 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -45.42 88.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 29.6 mt -52.51 -59.01 4.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.9 tt -125.44 140.76 47.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -102.6 123.04 45.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -88.6 -38.22 15.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.51 -31.99 69.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 m -77.2 -42.73 36.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.4 mt -57.79 175.48 0.19 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -154.04 133.89 13.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -45.87 -40.2 9.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -49.17 -47.83 45.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.403 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 1.0 OUTLIER -76.32 110.82 11.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 70.5 t -101.11 -51.91 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -63.38 -27.07 69.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 68' ' ' ASN . 41.2 tttt -74.53 -68.49 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 67' ' ' LYS . 5.8 m-80 -34.81 -41.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -74.29 -63.54 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -41.34 -42.56 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.3 tp -61.71 -66.5 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.14 -56.29 4.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -43.96 -27.16 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -93.98 -58.42 2.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.9 mm -49.57 -49.99 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -47.46 -74.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.074 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.56 -44.84 62.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -44.33 -56.33 4.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -101.49 -63.2 1.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 76' ' ' ALA . 29.2 mt -51.44 -51.88 51.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 109.46 -3.2 30.95 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.522 HD12 ' CZ ' ' A' ' 109' ' ' PHE . 70.6 mt -74.21 104.92 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 111.157 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t -63.1 130.26 94.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.61 0.719 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 137.81 36.49 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.718 2.278 . . . . 0.0 112.355 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.8 pt -80.22 -26.99 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.153 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.6 ptp -152.81 171.98 17.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.0 p -97.73 145.32 26.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -38.26 -44.36 1.6 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -59.88 4.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.741 0.305 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -52.95 -21.23 4.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.3 tpt -83.7 -28.06 28.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.35 -35.11 23.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.123 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.4 p -71.93 -38.15 69.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.6 p -67.52 153.37 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.128 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.26 -28.11 37.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.486 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -175.19 137.17 0.55 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 165.6 30.38 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.342 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -87.62 130.43 34.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -44.33 -62.65 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 85.1 mt -45.03 -67.04 0.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.6 p -43.26 -54.66 4.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 93.4 mmm -53.62 -64.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 76.6 t -43.7 -55.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.154 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 56.8 mtp -55.12 -69.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -41.87 -57.27 2.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.561 HD21 ' CH2' ' A' ' 37' ' ' TRP . 39.6 mt -52.63 -54.76 28.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 106' ' ' LEU . 96.7 m -33.9 -43.89 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.441 ' NE2' HG23 ' A' ' 82' ' ' ILE . 39.1 mt-30 -47.53 -49.28 26.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.522 ' CZ ' HD12 ' A' ' 82' ' ' ILE . 65.8 m-85 -62.07 -36.35 81.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 114' ' ' LYS . 1.2 t80 -68.31 -56.07 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.415 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 45.6 mt-10 -58.59 -18.18 27.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 5.7 tpp -88.27 -24.09 23.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.402 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 25.0 m-85 -124.09 18.45 9.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 110' ' ' TYR . 14.1 ptmt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 13' ' ' LYS . 34.4 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.961 0.41 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 12' ' ' SER . 7.8 mtmp? -36.78 -42.74 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.0 tp -63.91 -58.26 7.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' GLY . 25.4 tp -37.59 -62.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -37.85 -63.32 0.89 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 71.7 t90 -40.78 -48.2 2.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.748 0.308 . . . . 0.0 110.908 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.459 ' O ' ' CG2' ' A' ' 22' ' ' THR . 38.1 m -63.68 -39.5 94.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -64.28 -49.12 73.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.8 mmt-85 -68.25 -45.29 73.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -63.42 -51.79 64.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.459 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 44.4 p -67.09 -4.46 10.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.106 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -67.54 122.06 17.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.57 -23.31 6.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.494 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -73.14 171.2 13.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 0.0 110.915 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.11 118.01 35.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.116 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.26 19.21 79.77 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.442 ' O ' ' CG1' ' A' ' 28' ' ' VAL . 95.1 t -115.9 60.93 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.888 0.375 . . . . 0.0 111.147 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.418 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 2.4 t30 -89.34 79.86 6.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.0 112.4 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.0 t -126.66 -6.7 6.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.174 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -127.69 177.23 6.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.2 mt -120.61 11.26 11.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.6 p -132.46 -70.89 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.439 ' O ' ' N ' ' A' ' 38' ' ' LYS . 26.4 mtm -66.48 -44.45 82.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 t -45.67 -22.33 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.533 ' CZ3' HD21 ' A' ' 106' ' ' LEU . 53.0 m95 -105.23 -20.73 13.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.948 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 35' ' ' MET . 8.4 mtpm? -52.84 -42.56 65.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.4 p -59.42 -34.4 72.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.77 -43.22 1.72 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.491 HD21 ' CE1' ' A' ' 57' ' ' PHE . 91.3 mt -39.18 -68.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.814 0.34 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -34.14 -67.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.8 tp -43.97 -43.27 6.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.3 m -65.54 -37.71 87.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.38 -17.56 64.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.1 mm -79.24 -49.4 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.3 mt -67.84 -44.41 85.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.54 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 16.0 t-80 -63.5 -46.46 85.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' HIS . 21.7 tpt180 -35.64 -54.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.545 ' CE2' ' HB3' ' A' ' 113' ' ' PHE . 10.8 m-85 -86.51 -51.39 6.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.7 mtt85 -123.39 97.66 42.25 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.572 0.701 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.54 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.77 -14.33 35.9 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.644 2.229 . . . . 0.0 112.329 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -73.02 -59.56 2.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.6 mt -38.28 -53.29 1.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.9 tt -123.66 135.38 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -101.84 93.42 5.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.491 ' CE1' HD21 ' A' ' 41' ' ' LEU . 54.7 t80 -64.55 -54.12 37.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -43.17 -33.2 0.86 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 m -78.39 -47.21 18.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.7 mt -53.01 152.77 3.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -126.49 129.37 48.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -42.26 -37.76 1.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -61.7 -42.94 99.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -72.2 70.25 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 57.8 t -54.53 -75.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -39.62 -58.08 1.37 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -40.85 -63.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -42.24 -29.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 70' ' ' GLN . 69.4 m-80 -90.25 -66.54 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 69' ' ' ASN . 49.5 tp60 -37.88 -39.08 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.0 tp -65.45 -67.14 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.96 -48.57 32.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -51.75 -27.36 11.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -93.31 -60.02 1.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.7 mm -48.65 -49.07 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.192 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -50.74 -68.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -53.56 -38.22 63.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -55.79 -47.31 77.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -108.0 -67.54 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 76' ' ' ALA . 56.6 mt -47.7 -39.16 16.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 91.87 7.5 64.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.448 HD13 ' CB ' ' A' ' 108' ' ' GLN . 76.5 mt -87.03 103.87 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.907 0.385 . . . . 0.0 111.153 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t -59.88 133.18 89.55 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.652 0.739 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 138.01 36.82 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.315 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.44 HG21 ' CD1' ' A' ' 105' ' ' TYR . 35.9 pt -80.51 -29.19 11.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.8 ptp -153.73 166.5 32.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 31.1 p -89.81 154.84 19.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -47.61 -48.11 23.06 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.44 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.64 -58.58 7.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.722 0.296 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -50.37 -36.29 31.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 19.5 tpp -66.26 -36.14 82.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.72 -38.67 53.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.0 m -68.01 -52.88 30.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.3 p -52.97 142.05 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.124 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -77.7 -24.27 65.29 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.514 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -169.03 126.9 0.86 Allowed Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.622 0.725 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.423 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 53.7 Cg_endo -69.75 144.21 53.35 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.688 2.258 . . . . 0.0 112.339 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 99' ' ' LYS . 10.9 t70 -58.3 109.39 0.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.815 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -34.42 -67.74 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 67.5 mt -40.55 -55.65 2.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.9 m -55.77 -41.32 73.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.48 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -62.55 -62.05 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.1 t -53.3 -51.21 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.5 mtt -56.55 -68.47 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.44 ' CD1' HG21 ' A' ' 85' ' ' ILE . 64.9 t80 -41.74 -48.18 4.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.533 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 81.6 mt -59.49 -51.0 71.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 106' ' ' LEU . 95.6 m -35.46 -50.58 0.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.448 ' CB ' HD13 ' A' ' 82' ' ' ILE . 47.4 mt-30 -41.17 -46.8 3.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -63.99 -61.49 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.439 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 1.1 t80 -46.08 -58.47 3.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.945 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.439 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 75.5 mt-10 -51.27 -23.41 3.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 1.4 tpt -78.23 -41.58 33.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.545 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 19.4 m-85 -115.61 35.95 4.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 13.6 pttm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 3' ' ' SER . 48.0 t -80.7 152.46 28.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.357 . . . . 0.0 110.853 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 2' ' ' SER . 20.4 m -35.73 128.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.893 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.57 -41.52 1.7 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.525 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -46.99 130.47 12.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 110.914 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 p -77.06 170.21 16.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.3 126.93 1.68 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.19 135.43 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.0 111.134 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.74 -47.41 41.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.036 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -40.89 137.44 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m 63.17 53.32 2.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.2 m -53.75 148.6 9.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -49.25 -50.62 37.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.7 tp -57.34 -51.54 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.3 tp -45.85 -61.34 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -37.5 -58.9 1.34 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.479 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 67.1 t90 -44.81 -54.74 6.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.727 0.298 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.7 m -59.43 -37.41 78.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -63.09 -29.47 70.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 20' ' ' ARG . 14.3 mtp-105 -88.8 -40.58 13.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -70.48 -53.79 14.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.6 p -60.74 -20.91 62.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -50.37 129.1 21.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.93 -38.28 2.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.491 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -61.09 -179.64 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.875 0.369 . . . . 0.0 110.912 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -120.66 127.69 52.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.87 -33.24 4.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.494 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 29' ' ' ASN . 96.5 t -49.88 -68.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 111.094 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 28' ' ' VAL . 9.0 t30 34.9 53.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.6 t -38.16 113.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.0 p -112.88 -25.24 9.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -147.03 167.22 24.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.545 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 24.0 mt -106.2 35.42 2.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 p -134.45 -74.87 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.411 ' O ' ' N ' ' A' ' 38' ' ' LYS . 6.1 mtt -76.51 -50.97 12.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 t -40.06 -30.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.551 ' CZ3' HD23 ' A' ' 106' ' ' LEU . 74.9 m95 -92.25 -36.53 13.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 35' ' ' MET . 4.2 mtmp? -39.97 -39.74 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.3 t -58.0 -43.48 86.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 37' ' ' TRP . . . 110.49 -41.16 2.31 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.511 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -41.63 -51.86 3.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.795 0.331 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.64 -64.96 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.546 HD12 ' CE2' ' A' ' 109' ' ' PHE . 15.4 tp -47.03 -46.38 21.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 60.8 m -60.88 -39.67 90.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.1 -16.9 63.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.1 mm -79.29 -54.82 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.0 mt -62.42 -45.12 99.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' ARG . 31.2 t-80 -62.25 -47.09 85.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 48' ' ' HIS . 24.2 tpt180 -36.48 -52.75 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 113' ' ' PHE . 5.4 m-85 -89.51 -52.2 5.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -119.62 94.61 48.63 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -23.88 30.1 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.639 2.226 . . . . 0.0 112.365 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.43 -59.0 5.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.1 mt -43.07 -56.91 3.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.8 tt -122.02 136.03 60.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -107.8 102.99 12.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -71.27 -49.16 45.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -43.31 -41.07 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.4 t -73.14 -49.41 28.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.8 mt -49.05 145.99 3.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.452 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 7.8 m-20 -110.26 134.27 52.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -58.81 -11.86 3.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -77.75 -40.61 40.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.452 ' ND2' ' HB2' ' A' ' 61' ' ' ASP . 34.0 m-20 -74.94 114.0 12.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.3 t -96.67 -44.66 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -70.4 -35.8 73.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -65.25 -61.55 2.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -40.93 -40.41 1.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -77.02 -62.21 1.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -41.35 -39.52 1.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.2 tp -63.23 -68.05 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.48 -53.43 6.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -48.69 -29.08 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -89.69 -58.83 2.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.2 mm -50.79 -52.6 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -45.03 -71.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -53.74 -42.8 68.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -47.1 -57.36 5.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -99.39 -62.44 1.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 76' ' ' ALA . 20.1 mt -53.58 -58.33 7.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 113.26 -3.61 25.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.425 HG23 ' CB ' ' A' ' 108' ' ' GLN . 50.9 mt -71.38 99.93 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.848 0.356 . . . . 0.0 111.128 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.5 t -58.52 134.26 85.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.666 0.746 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 141.01 44.16 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.297 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.2 pt -88.39 -27.27 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.8 ptp -149.49 152.25 35.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 46.0 p -76.95 158.19 30.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.152 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -56.59 -44.62 90.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -63.32 -36.74 84.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.743 0.306 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -73.15 -22.33 60.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.0 ttt -94.0 -18.94 21.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.87 -18.08 24.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.7 m -95.19 -46.88 6.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.9 p -48.56 139.94 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.78 -33.11 83.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -170.55 136.66 1.19 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.633 0.73 . . . . 0.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.41 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 54.2 Cg_endo -69.71 -174.72 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.698 2.265 . . . . 0.0 112.393 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 99' ' ' LYS . 24.8 t0 -107.5 116.91 32.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.851 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 98' ' ' ASP . 9.0 tmtt? -34.07 -60.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 52.3 mt -50.77 -72.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.7 m -38.63 -54.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.812 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.41 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 93.6 mmm -50.35 -65.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.9 t -48.65 -61.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 45.0 mtm -43.85 -51.8 7.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -60.63 -61.9 2.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.936 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.551 HD23 ' CZ3' ' A' ' 37' ' ' TRP . 46.8 mt -43.14 -49.93 6.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 106' ' ' LEU . 6.7 m -35.31 -53.9 0.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.181 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.425 ' CB ' HG23 ' A' ' 82' ' ' ILE . 50.3 mt-30 -37.1 -49.69 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.546 ' CE2' HD12 ' A' ' 43' ' ' LEU . 56.9 m-85 -60.82 -55.01 38.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.527 ' CD1' ' N ' ' A' ' 111' ' ' GLU . 0.6 OUTLIER -52.99 -57.25 10.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.952 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.527 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 62.9 mm-40 -47.79 -22.24 0.51 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 26.9 tpp -92.4 -29.9 16.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.479 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 24.3 m-85 -113.84 23.88 12.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 110' ' ' TYR . 5.8 ptmm? -79.67 -42.22 25.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.1 p30 -131.39 41.16 3.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 117' ' ' GLY . 4.4 t -50.52 156.12 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 116' ' ' SER . . . -35.31 149.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -22.5 31.81 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.321 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.8 m -52.84 96.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 39.4 t -49.67 105.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.818 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.462 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.0 m -110.14 113.9 26.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.952 0.406 . . . . 0.0 110.829 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 t -102.82 85.95 2.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.36 77.04 0.52 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.453 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 t -127.4 113.14 15.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.928 0.394 . . . . 0.0 110.806 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.9 p -40.85 115.66 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.76 -170.8 15.64 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.445 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.403 ' O ' ' CG1' ' A' ' 8' ' ' VAL . 39.9 t 48.69 40.27 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.866 0.365 . . . . 0.0 111.166 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.39 155.22 12.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -131.77 177.09 7.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.6 m -44.04 130.71 5.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 13' ' ' LYS . 16.1 m -59.98 143.85 50.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 12' ' ' SER . 12.0 ttmt -36.53 -42.99 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.442 HD23 ' CB ' ' A' ' 106' ' ' LEU . 12.6 tp -73.82 -53.42 10.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.0 tp -42.3 -53.59 4.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.48 -51.95 6.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.512 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 27.7 t90 -51.02 -55.97 14.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.746 0.308 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.8 m -56.36 -44.07 79.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -56.29 -46.61 79.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -69.45 -47.55 63.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -63.77 -65.09 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.6 p -46.05 -38.42 7.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -43.38 128.24 4.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.25 -36.09 3.66 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -62.77 -176.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.968 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.51 119.28 36.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.0 32.13 69.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.524 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.3 t -124.27 80.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 111.111 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -105.47 113.53 27.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.5 t -100.79 106.65 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.2 p -103.09 -31.53 10.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -134.55 -176.12 4.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.0 mt -120.11 42.1 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.425 ' O ' ' CG ' ' A' ' 97' ' ' PRO . 19.9 p -134.73 -55.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.8 mtt -100.03 -33.77 10.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.2 m -43.33 -24.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.431 ' O ' ' C ' ' A' ' 38' ' ' LYS . 39.9 m95 -104.72 -33.14 8.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 37' ' ' TRP . 6.7 mtpm? -35.81 -39.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.3 p -58.91 -59.35 5.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.83 -39.86 1.84 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.533 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.561 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 25.5 mt -49.3 -63.68 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -35.92 -62.77 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.8 tp -51.56 -37.07 47.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' LEU . 69.2 m -72.02 -33.13 67.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.8 -19.85 64.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.2 mm -73.91 -59.88 2.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.0 mt -57.43 -43.37 82.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 9.1 t-80 -66.37 -50.11 64.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 48' ' ' HIS . 22.6 tpt180 -34.35 -48.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -93.78 -50.19 5.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -123.69 95.72 44.28 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.569 0.699 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.564 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.81 -18.63 36.64 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -69.12 -62.18 1.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.3 mt -38.7 -54.61 1.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.1 tt -121.07 134.84 63.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -102.99 95.38 6.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.561 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 27.8 t80 -66.04 -47.55 74.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -47.14 -46.2 23.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.6 t -66.92 -42.59 85.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.3 mt -56.81 164.29 1.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.485 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 7.9 t0 -139.65 132.6 29.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.43 -29.87 11.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -58.8 -48.59 80.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -72.07 73.14 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 95.1 t -58.95 -56.1 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -57.59 -50.16 74.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 69' ' ' ASN . 7.1 tmtm? -55.42 -68.13 0.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 61' ' ' ASP . 10.2 m-80 -35.65 -31.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 67' ' ' LYS . 56.6 m-80 -83.53 -60.8 2.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.443 ' NE2' ' HA ' ' A' ' 70' ' ' GLN . 1.6 tp-100 -44.35 -45.64 8.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.4 tp -51.21 -71.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.95 -57.69 3.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -44.5 -28.15 0.54 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -92.18 -60.85 1.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.9 mm -47.65 -49.75 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -48.14 -67.17 0.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.057 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -55.61 -36.07 66.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -56.98 -51.34 69.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -104.2 -68.94 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 76' ' ' ALA . 43.5 mt -45.81 -38.28 7.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.34 9.18 62.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.459 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.411 HG21 ' CD ' ' A' ' 108' ' ' GLN . 69.6 mt -89.19 121.25 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.825 0.345 . . . . 0.0 111.141 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.1 p -79.69 130.39 67.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.647 0.737 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 135.08 29.43 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.65 2.234 . . . . 0.0 112.302 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.4 pt -76.09 -20.12 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 61.9 mtm -149.54 175.01 11.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 88' ' ' GLY . 11.9 p -110.62 142.32 42.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.64 -50.39 0.75 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.39 -51.79 57.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.32 -33.51 73.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.4 tpp -69.77 -42.84 73.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.88 -30.68 62.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.9 m -76.13 -54.85 6.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.1 p -53.57 149.18 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.58 -41.78 9.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -157.78 127.54 3.28 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.602 0.715 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.425 ' CG ' ' O ' ' A' ' 34' ' ' THR . 53.3 Cg_endo -69.81 170.34 16.86 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.675 2.25 . . . . 0.0 112.32 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 99' ' ' LYS . 9.2 t70 -90.17 118.72 29.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 98' ' ' ASP . 35.2 tptt -37.26 -60.6 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 57.3 mt -46.87 -68.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 m -41.83 -53.81 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 92.2 mmm -54.09 -64.29 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.9 t -44.68 -63.88 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 47.3 mtm -42.38 -54.18 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -58.43 -64.94 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.442 ' CB ' HD23 ' A' ' 14' ' ' LEU . 58.2 mt -41.38 -50.6 3.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 106' ' ' LEU . 53.0 m -35.53 -45.09 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.411 ' CD ' HG21 ' A' ' 82' ' ' ILE . 34.7 mt-30 -45.59 -51.54 11.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -59.91 -46.1 90.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.499 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 1.5 t80 -60.22 -61.94 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.499 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 24.9 mt-10 -51.72 -16.96 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 33.0 tpp -87.15 -36.64 17.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -119.22 35.36 4.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 32.7 pttt -86.23 -36.5 19.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 116' ' ' SER . 1.3 p-10 -77.58 -45.21 25.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 115' ' ' ASP . 30.1 t -37.29 -49.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -63.54 171.39 15.08 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -42.29 3.48 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.68 2.254 . . . . 0.0 112.32 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 25.6 t -57.56 137.08 56.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.3 t -75.29 169.91 17.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.479 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -62.48 -59.29 5.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.912 0.387 . . . . 0.0 110.871 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 t -87.12 -57.35 3.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.33 -170.56 31.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 p -110.71 169.14 8.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 0.0 110.838 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 t -126.37 132.52 51.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.856 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.11 48.0 59.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.453 HG11 ' N ' ' A' ' 9' ' ' ALA . 53.3 t -132.68 135.99 56.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.824 0.345 . . . . 0.0 111.104 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.453 ' N ' HG11 ' A' ' 8' ' ' VAL . . . -35.84 -54.4 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -48.59 159.54 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.7 p 45.17 53.8 7.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 13' ' ' LYS . 6.2 t -57.09 132.51 53.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 12' ' ' SER . 4.8 tppp? -37.45 -44.6 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 15' ' ' LEU . 6.8 tp -66.1 -56.31 12.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 14' ' ' LEU . 19.5 tp -34.82 -60.52 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 17' ' ' TRP . . . -39.6 -66.47 0.74 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.483 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.447 ' C ' ' O ' ' A' ' 16' ' ' GLY . 71.9 t90 -34.1 -51.46 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.732 0.301 . . . . 0.0 110.914 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 22' ' ' THR . 39.0 m -58.18 -48.34 80.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' GLY . 25.1 mt-30 -59.76 -50.53 73.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.47 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 1.5 mpt_? -59.99 -51.59 69.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -64.37 -63.46 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 55.2 p -45.62 -37.35 5.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -45.55 123.79 4.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.02 -26.92 5.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.493 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.493 ' CE1' ' HB2' ' A' ' 45' ' ' ALA . 14.3 m-85 -71.85 -176.76 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 110.929 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.4 109.61 17.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.07 19.93 58.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.461 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.2 t -118.96 70.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 111.096 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -94.56 106.93 18.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.0 t -85.63 103.77 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.1 t -119.93 -10.07 9.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -141.17 171.38 14.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.431 ' CD2' HD11 ' A' ' 15' ' ' LEU . 66.0 mt -117.4 18.33 14.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.8 p -120.59 -74.91 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.482 ' O ' ' N ' ' A' ' 38' ' ' LYS . 25.1 ptp -78.61 -36.81 43.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.4 t -39.86 -29.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.539 ' CE3' HD21 ' A' ' 106' ' ' LEU . 33.4 m95 -101.79 -25.0 13.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 35' ' ' MET . 7.9 mtpm? -45.57 -32.56 2.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 t -63.28 -52.14 63.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.35 -37.51 3.22 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 42' ' ' ALA . 47.7 mt -49.74 -64.46 0.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -34.57 -68.06 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tp -45.91 -41.18 11.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.9 m -65.35 -41.67 93.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.493 ' HB2' ' CE1' ' A' ' 25' ' ' TYR . . . -65.98 -16.8 64.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.5 mm -78.45 -50.04 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.26 -40.37 86.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.502 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 5.9 t-80 -70.54 -44.44 67.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' HIS . 9.5 tpt180 -35.24 -44.88 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -99.38 -48.36 4.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -124.05 95.27 44.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.502 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.82 -29.26 23.85 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -56.37 -54.12 49.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.0 mt -48.3 -62.67 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.9 tt -116.45 132.41 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -100.33 106.75 18.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -76.94 -31.61 56.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -57.78 -47.1 83.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 t -70.17 -46.65 64.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.8 mt -48.68 149.19 1.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -115.8 158.1 23.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -81.26 -15.36 55.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -81.96 -29.11 32.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -84.93 116.35 23.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.1 t -99.38 -66.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -48.39 -32.87 8.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -68.46 -71.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -39.56 -32.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -79.44 -61.14 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -48.16 -36.13 12.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.0 tp -63.12 -68.74 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.34 -50.3 12.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -52.86 -28.29 22.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -89.3 -58.49 2.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 42.8 mm -52.37 -49.56 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.18 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -45.94 -70.76 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -57.71 -38.18 74.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -50.36 -49.54 53.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -109.72 -64.79 1.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 76' ' ' ALA . 20.3 mt -50.51 -42.48 54.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 99.36 -14.36 60.98 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.418 HG21 ' CB ' ' A' ' 108' ' ' GLN . 83.9 mt -62.72 97.33 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.818 0.342 . . . . 0.0 111.152 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 89.1 p -59.23 132.98 87.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.665 0.745 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 153.12 69.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.254 . . . . 0.0 112.344 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.6 pt -97.37 -23.07 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.089 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 70.1 mtm -145.35 168.15 21.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.6 p -97.06 147.64 23.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.132 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -43.75 -48.31 7.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.445 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.87 -40.9 98.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -65.84 -24.49 66.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 11.1 ttt -78.65 -35.9 44.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.41 -21.17 39.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 96.9 p -81.78 -44.52 16.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.5 p -62.61 148.16 11.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.77 -30.14 36.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.538 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -170.39 126.46 0.7 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.619 0.723 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 168.01 22.83 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.705 2.27 . . . . 0.0 112.306 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -87.43 123.08 31.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -39.08 -59.63 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 101' ' ' SER . 31.1 mt -51.65 -72.66 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 100' ' ' LEU . 56.2 m -36.6 -44.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 88.9 mmm -63.34 -60.2 3.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 38.2 t -49.23 -57.75 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 30.8 mtp -45.48 -51.05 12.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -62.7 -60.64 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.539 HD21 ' CE3' ' A' ' 37' ' ' TRP . 27.9 mt -44.41 -44.56 8.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.945 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 92.4 m -43.76 -50.02 7.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.418 ' CB ' HG21 ' A' ' 82' ' ' ILE . 44.5 mt-30 -40.69 -54.44 2.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -59.72 -53.65 55.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.55 ' CD1' ' N ' ' A' ' 111' ' ' GLU . 1.2 t80 -51.61 -63.32 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.55 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 12.4 mm-40 -42.07 -38.26 1.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 34.2 ttm -70.65 -47.02 62.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.42 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 14.5 m-85 -104.67 33.7 3.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.854 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 110' ' ' TYR . 14.5 pttt -74.36 -46.3 41.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -128.43 46.8 2.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.5 m -90.7 -41.72 11.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 60.36 147.23 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -50.18 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.68 2.253 . . . . 0.0 112.324 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 24.2 m -164.7 158.37 17.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 66.3 m -75.04 100.89 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t 39.94 42.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 110.848 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 m -82.07 126.56 32.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.86 -105.07 1.65 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -75.03 154.98 37.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.851 0.358 . . . . 0.0 110.873 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -88.1 -36.26 17.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.31 159.53 46.9 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.442 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 m -150.06 167.31 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.819 0.342 . . . . 0.0 111.091 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -106.31 42.33 1.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -93.66 176.65 6.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.2 p -39.47 115.33 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 13' ' ' LYS . 31.9 t -60.82 140.3 57.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 12' ' ' SER . 19.0 mttp -37.36 -47.7 0.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.2 tp -61.32 -57.62 11.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.959 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' GLY . 21.0 tp -42.85 -54.32 4.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -37.51 -56.63 1.56 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.496 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.519 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 28.9 t90 -47.92 -64.47 0.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.741 0.305 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.5 m -43.39 -56.0 3.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -46.36 -41.0 12.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.1 mtt-85 -74.71 -46.44 37.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.454 ' HG3' ' CZ2' ' A' ' 17' ' ' TRP . 48.8 mm-40 -65.32 -65.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 79.5 p -46.78 -32.01 3.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -43.31 116.84 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.72 -36.98 2.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -74.48 145.07 43.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.917 0.389 . . . . 0.0 110.881 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.48 126.38 35.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.139 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.24 -17.95 48.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.3 t -88.92 62.11 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 111.179 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.425 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 12.5 p-10 -88.09 94.4 9.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -77.86 94.2 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.0 p -91.59 -37.9 12.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -131.52 179.87 5.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.1 mt -112.01 42.07 1.83 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.0 p -134.44 -69.74 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' TRP . 26.2 ptm -83.32 -39.81 20.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 65.8 m -40.76 -25.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' LYS . 58.9 m95 -103.65 -34.86 8.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' TRP . 8.2 mtpm? -34.67 -51.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 t -51.79 -55.92 16.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.29 -34.87 3.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.533 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.3 mt -44.84 -59.51 2.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.849 0.356 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -39.03 -68.99 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.9 tp -40.62 -39.73 1.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.0 m -68.98 -42.71 76.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.43 -28.8 67.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.06 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.0 mm -67.33 -55.04 18.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.137 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 78.2 mt -64.78 -41.58 92.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -66.9 -43.1 84.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.1 tpt85 -39.28 -50.9 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -92.68 -52.27 4.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 25.0 mtt85 -116.74 96.23 48.08 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.633 0.73 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -22.86 31.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.252 . . . . 0.0 112.298 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 54' ' ' LEU . 19.9 t0 -64.73 -65.09 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 53' ' ' ASP . 16.6 mt -34.22 -53.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.8 tt -130.33 135.08 61.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -102.58 104.35 14.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -67.0 -42.12 85.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -50.46 -45.52 56.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.6 t -66.73 -49.16 66.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.5 mt -50.44 145.89 5.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -116.17 133.99 55.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -50.82 -36.98 40.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -55.98 -45.22 79.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.435 ' HB2' ' ND2' ' A' ' 68' ' ' ASN . 80.1 m-20 -65.02 114.15 4.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.483 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 85.8 t -102.25 -66.74 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -51.79 -48.9 63.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 68' ' ' ASN . 0.2 OUTLIER -55.87 -67.07 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.435 ' ND2' ' HB2' ' A' ' 64' ' ' ASN . 5.0 m-80 -35.78 -36.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 65' ' ' VAL . 69.4 m-80 -76.93 -59.38 2.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.439 ' NE2' ' HA ' ' A' ' 70' ' ' GLN . 2.2 tp-100 -47.14 -39.94 14.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.4 tp -57.09 -68.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.27 -50.86 20.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -48.93 -24.6 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -97.09 -55.36 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 43.4 mm -52.47 -48.86 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -45.78 -73.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -52.88 -45.52 67.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -44.16 -53.43 6.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -104.22 -65.12 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 76' ' ' ALA . 13.9 mt -51.5 -50.48 59.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 103.5 8.77 39.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.1 mt -85.01 104.83 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.854 0.359 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.3 t -63.81 132.48 95.24 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.682 0.753 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 156.93 62.0 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.329 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.426 HG13 ' N ' ' A' ' 86' ' ' MET . 29.5 pt -106.02 -35.97 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.426 ' N ' HG13 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -126.29 161.76 27.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 28.0 p -94.64 141.65 28.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.51 -42.71 2.71 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -41.69 96.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.748 0.309 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -67.18 -23.93 65.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 11.8 tpp -79.72 -32.87 41.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.34 -34.99 28.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 m -76.04 -51.52 12.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.8 p -48.22 136.0 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -68.47 -31.07 73.41 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.48 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -172.16 130.01 0.65 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.633 0.73 . . . . 0.0 110.906 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 157.35 60.76 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.639 2.226 . . . . 0.0 112.337 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -80.14 124.58 28.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -41.99 -58.96 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.1 mt -45.87 -66.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.0 m -43.61 -56.05 3.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 91.7 mmm -52.2 -63.9 0.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.824 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 86.9 t -45.94 -60.28 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 107' ' ' THR . 16.3 mtm -51.14 -67.41 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.455 ' O ' ' CD ' ' A' ' 108' ' ' GLN . 53.4 t80 -41.6 -46.96 3.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.435 HD11 ' CE2' ' A' ' 37' ' ' TRP . 41.0 mt -63.07 -31.76 72.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.949 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 104' ' ' MET . 54.1 m -40.12 -59.94 1.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.455 ' CD ' ' O ' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -43.51 -53.95 5.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -53.81 -45.19 70.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.438 ' O ' ' N ' ' A' ' 114' ' ' LYS . 2.3 t80 -65.01 -64.34 0.89 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.408 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 64.0 mt-10 -50.35 -29.61 10.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 36.6 tpp -66.39 -32.53 73.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.519 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 28.5 m-85 -129.96 28.49 5.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 110' ' ' TYR . 41.8 pttt -81.56 -18.19 45.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 116' ' ' SER . 11.6 m-20 -86.52 -56.31 3.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.895 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 115' ' ' ASP . 66.9 m -35.24 104.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 115.76 -164.53 12.2 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.449 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 154.97 66.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.8 p -117.21 27.95 8.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.2 p -167.1 141.47 3.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.422 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -124.15 92.79 3.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 0.0 110.845 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.6 t -77.56 -60.01 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.826 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.97 -134.87 7.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.485 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.1 p -80.79 159.6 25.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m -54.31 132.28 43.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.62 -84.93 0.12 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.3 m -46.38 157.49 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 111.168 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 10' ' ' ARG . . . -119.76 166.96 12.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 9' ' ' ALA . 4.4 mmp_? -34.56 144.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.82 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.5 m -86.8 158.72 19.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 13' ' ' LYS . 3.3 m -131.16 140.5 49.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 12' ' ' SER . 21.7 mmtp -38.12 -47.91 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.414 ' CD2' ' HB2' ' A' ' 106' ' ' LEU . 34.9 tp -65.85 -53.24 42.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 16' ' ' GLY . 27.2 tp -46.43 -58.57 3.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -36.53 -57.63 1.17 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.463 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.493 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 20.8 t90 -47.58 -60.99 2.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.757 0.313 . . . . 0.0 110.91 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.7 m -49.46 -47.14 48.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -55.62 -43.36 76.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.5 mtt85 -71.4 -39.4 71.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.405 ' C ' ' N ' ' A' ' 23' ' ' ASP . 41.2 mm-40 -74.52 -67.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.4 p -44.16 -22.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.174 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 21' ' ' GLN . 32.3 t0 -53.08 115.44 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.7 -32.03 2.98 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.465 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.454 ' CZ ' ' HB1' ' A' ' 45' ' ' ALA . 44.5 m-85 -69.82 174.01 5.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.914 0.388 . . . . 0.0 110.878 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.09 132.91 56.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.14 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.92 -2.12 70.71 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 29' ' ' ASN . 96.1 t -91.26 -74.06 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.338 . . . . 0.0 111.134 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 30' ' ' VAL . 43.1 t30 37.34 54.9 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 29' ' ' ASN . 46.3 t -35.51 125.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.8 p -120.8 -21.7 6.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -148.23 176.45 10.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.498 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 11.2 mt -115.26 36.98 3.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 p -133.77 -74.35 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.8 mtp -81.22 -44.5 17.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -44.75 -24.23 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.498 ' CD1' ' HA ' ' A' ' 33' ' ' LEU . 53.1 m95 -100.15 -35.47 9.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -41.15 -41.29 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.8 p -54.52 -43.29 71.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.48 -39.3 2.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.492 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.1 mt -49.68 -60.12 3.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.337 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -41.73 -56.25 2.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.0 tp -56.0 -41.87 75.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 84.9 m -64.12 -38.95 92.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.454 ' HB1' ' CZ ' ' A' ' 25' ' ' TYR . . . -62.38 -24.25 67.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 49.1 mm -69.66 -59.52 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.439 ' CG2' HG21 ' A' ' 55' ' ' ILE . 43.0 mt -59.73 -38.43 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 9.5 t-80 -74.36 -40.79 61.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -39.0 -42.45 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -98.62 -53.02 3.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.1 mtt-85 -120.16 95.95 49.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.8 -17.73 37.24 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.657 2.238 . . . . 0.0 112.366 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.44 -53.5 23.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.9 mt -46.31 -57.01 4.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.439 HG21 ' CG2' ' A' ' 47' ' ' ILE . 6.4 tt -120.58 145.3 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -106.73 96.65 6.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -74.98 -39.2 61.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -52.03 -44.0 64.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.0 t -71.99 -47.43 52.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.6 mt -49.45 162.08 0.17 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -143.52 175.4 9.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -84.88 -24.97 28.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -60.73 -30.49 70.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.428 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.8 OUTLIER -99.54 85.17 3.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 85.4 t -71.08 -56.11 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -58.76 -43.92 90.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 68' ' ' ASN . 33.5 tttp -58.09 -67.21 0.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 67' ' ' LYS . 2.8 m-80 -35.58 -37.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 65' ' ' VAL . 75.2 m-80 -78.46 -61.23 2.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -42.05 -44.94 3.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.9 tp -53.58 -67.53 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 74' ' ' ASP . . . -47.3 -54.94 9.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -45.04 -22.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 72' ' ' ALA . 9.1 t0 -99.78 -56.53 2.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.2 -46.87 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -48.52 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.69 -46.14 63.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -43.12 -54.8 4.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -103.0 -64.46 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 76' ' ' ALA . 15.4 mt -51.92 -48.62 64.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.25 -1.4 43.63 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.521 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.4 mt -75.53 106.78 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 111.104 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.4 p -65.79 131.99 94.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.68 0.752 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 146.22 59.52 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.326 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.558 HG21 ' CD1' ' A' ' 105' ' ' TYR . 39.3 pt -91.45 -21.77 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.2 ptp -152.24 176.01 12.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 58.3 p -102.45 151.44 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -47.48 -39.53 15.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.2 tttm -61.28 -54.69 40.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.746 0.308 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -55.31 -20.68 12.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.0 tpp -85.2 -24.57 27.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.46 -30.73 17.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.9 t -76.75 -49.13 16.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.9 p -56.98 145.99 6.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -73.88 -31.94 59.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -172.65 133.83 0.72 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.596 0.712 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 173.57 10.74 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.242 . . . . 0.0 112.398 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 98' ' ' ASP . 42.9 t0 -92.91 113.15 25.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 98' ' ' ASP . 1.0 OUTLIER -36.49 -49.74 0.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.4 mt -56.71 -68.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.3 m -43.2 -52.38 5.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 79.0 mmm -53.91 -64.91 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.5 t -44.18 -46.43 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 39.5 mtt -60.34 -65.51 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.558 ' CD1' HG21 ' A' ' 85' ' ' ILE . 69.5 t80 -48.76 -36.51 16.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.414 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 89.2 mt -68.51 -34.15 75.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.7 m -37.91 -60.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.404 ' OE1' ' O ' ' A' ' 105' ' ' TYR . 0.5 OUTLIER -42.27 -58.02 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -48.2 -38.14 17.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.488 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 1.8 t80 -77.08 -64.94 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.488 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 9.8 mm-40 -47.16 -31.51 3.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 33.4 ttm -66.23 -39.33 89.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.493 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 29.7 m-85 -120.87 31.85 6.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -82.8 -29.59 29.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 116' ' ' SER . 20.2 m-20 -72.9 -50.63 22.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 115' ' ' ASP . 55.9 p -37.52 139.15 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -77.28 145.37 30.59 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 157.45 60.24 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.71 2.273 . . . . 0.0 112.294 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 60.1 p -174.97 162.95 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.4 m -113.88 150.26 33.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.49 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -165.93 163.54 18.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.363 . . . . 0.0 110.833 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 t -138.98 157.36 46.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.46 94.97 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.522 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.9 t -78.19 -61.83 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.915 0.388 . . . . 0.0 110.866 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 t -97.51 133.87 41.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.826 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.54 -177.03 14.96 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.487 ' CG1' ' O ' ' A' ' 8' ' ' VAL . 4.7 p -101.38 43.72 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.33 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -42.05 107.94 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.111 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -148.09 149.68 32.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.0 p -95.37 106.44 18.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.5 m -67.42 147.12 53.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -39.68 -54.21 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.7 tp -57.21 -54.53 45.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 16' ' ' GLY . 30.0 tp -41.65 -64.6 0.55 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -35.61 -62.46 0.65 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -40.16 -53.9 2.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.771 0.32 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.6 m -61.1 -42.73 99.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.956 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -56.69 -34.08 67.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 -84.02 -48.43 9.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -61.2 -56.82 16.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.422 ' CG2' HD13 ' A' ' 46' ' ' ILE . 72.8 p -57.39 -26.0 60.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -52.12 121.15 6.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.38 -28.18 4.08 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -74.28 177.16 6.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.854 0.359 . . . . 0.0 110.92 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.22 132.19 46.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.095 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.55 27.05 33.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.415 ' O ' ' CG1' ' A' ' 28' ' ' VAL . 55.5 t -116.65 74.25 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -104.57 104.8 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.5 t -77.86 102.72 4.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.4 m -101.4 -32.7 10.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -138.43 173.14 11.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.8 mt -111.93 37.86 2.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.4 p -132.12 -74.88 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.6 ptm -85.31 -31.54 22.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.17 -26.08 4.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.545 ' CH2' HD23 ' A' ' 106' ' ' LEU . 42.0 m95 -101.03 -34.66 9.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 37' ' ' TRP . 6.3 mtpm? -35.6 -39.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.3 t -55.91 -59.64 4.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.72 -40.97 1.66 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.515 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.511 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 89.4 mt -42.29 -67.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.341 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -38.31 -69.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.7 tp -42.74 -40.12 2.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 77.0 m -71.95 -31.32 66.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -73.54 -15.57 61.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.422 HD13 ' CG2' ' A' ' 22' ' ' THR . 27.2 mm -77.45 -55.52 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mt -62.09 -44.48 99.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.49 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 45.7 t-80 -64.46 -49.92 69.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 48' ' ' HIS . 18.7 tpt85 -36.5 -50.43 0.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.504 ' CE2' ' HB3' ' A' ' 113' ' ' PHE . 43.0 m-85 -88.79 -53.58 4.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -122.16 95.9 46.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.61 0.719 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.49 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.71 -22.86 31.73 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.353 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -64.84 -47.98 75.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.9 mt -50.34 -66.5 0.38 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.3 tt -113.04 139.58 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -102.43 105.42 15.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.511 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 14.4 t80 -73.94 -53.21 10.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.87 -30.89 4.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.0 t -75.87 -46.95 27.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.6 mt -55.25 174.53 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 62' ' ' GLU . 60.4 t0 -140.04 131.09 26.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.41 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 11.3 pt-20 -46.13 -38.58 8.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -58.66 -45.8 88.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -64.85 115.83 5.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.6 t -104.37 -62.11 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -57.65 -21.42 39.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 68' ' ' ASN . 0.1 OUTLIER -80.52 -69.42 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 67' ' ' LYS . 10.6 m-80 -37.0 -39.97 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -76.43 -58.97 2.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -44.24 -44.25 7.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 38.9 tp -59.43 -67.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.62 -58.21 2.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -45.23 -31.73 1.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -87.69 -62.11 1.57 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.5 mm -46.2 -51.62 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -43.7 -73.4 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.058 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -52.6 -45.75 66.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -43.88 -53.37 6.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -104.44 -65.31 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 76' ' ' ALA . 14.8 mt -51.18 -59.87 3.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.94 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 115.58 1.58 21.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.497 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.509 HG21 ' CE1' ' A' ' 109' ' ' PHE . 58.9 mt -75.57 102.0 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 111.136 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 97.1 p -62.67 124.13 81.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.673 0.749 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 140.23 42.24 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.688 2.259 . . . . 0.0 112.374 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.9 pt -79.57 -26.94 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.081 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 51.6 mtm -147.52 -177.62 5.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.2 p -115.95 150.3 37.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -43.72 -40.6 5.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.01 -45.12 96.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.727 0.299 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -68.7 -36.93 79.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 32.4 ttm -69.57 -32.92 71.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.12 -29.3 54.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.048 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.2 t -80.67 -54.28 5.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.872 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.4 p -53.51 139.61 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.083 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -69.84 -33.33 70.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -167.32 134.01 1.84 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.658 0.742 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -179.14 2.7 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.347 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -96.77 134.11 40.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -51.04 -57.06 9.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.826 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 101' ' ' SER . 55.5 mt -54.7 -71.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 100' ' ' LEU . 5.6 t -38.0 -50.44 1.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 87.2 mmm -56.65 -62.26 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 43.9 t -47.6 -61.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 44.7 mtt -47.53 -54.5 11.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -54.13 -63.06 1.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.96 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.545 HD23 ' CH2' ' A' ' 37' ' ' TRP . 65.5 mt -46.02 -49.09 16.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.941 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 106' ' ' LEU . 24.6 m -36.56 -48.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -43.52 -46.28 6.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.509 ' CE1' HG21 ' A' ' 82' ' ' ILE . 72.4 m-85 -65.18 -50.68 65.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.495 ' CD1' ' N ' ' A' ' 111' ' ' GLU . 1.0 OUTLIER -54.69 -58.79 6.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.495 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 9.5 mt-10 -51.74 -27.06 10.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 27.0 tpp -77.26 -40.7 43.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.504 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 23.2 m-85 -109.18 22.99 15.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 110' ' ' TYR . 49.4 pttt -70.98 -45.37 64.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.42 ' N ' ' HG3' ' A' ' 114' ' ' LYS . 3.5 m-20 -75.59 -54.73 6.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 115' ' ' ASP . 32.7 t -37.56 -39.75 0.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -71.77 155.13 51.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.485 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -174.91 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.38 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 t -71.35 157.96 37.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.9 t -128.12 119.64 25.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t -122.51 115.77 22.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.379 . . . . 0.0 110.861 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.1 p -53.48 159.59 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.47 -160.62 47.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.51 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.0 p -111.02 164.27 12.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.876 0.369 . . . . 0.0 110.888 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -164.61 158.39 17.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.83 72.91 0.37 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.445 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.4 m -141.39 158.01 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.0 111.114 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 49.5 38.17 13.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.085 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.8 mmm-85 -129.89 156.68 43.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.0 m -79.27 112.34 16.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.8 m -91.71 146.59 23.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -46.48 -47.56 19.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.5 tp -61.82 -53.79 51.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.4 tp -39.68 -61.47 0.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -38.89 -60.37 1.54 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.448 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 41.5 t90 -42.03 -52.46 4.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.745 0.307 . . . . 0.0 110.955 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.8 m -63.48 -45.51 90.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -57.01 -33.62 67.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -81.89 -49.93 9.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -62.43 -57.49 11.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.4 p -53.28 -39.71 64.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.409 ' C ' ' OD1' ' A' ' 23' ' ' ASP . 5.1 t0 -43.72 123.24 3.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.1 -32.07 4.09 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.436 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -63.51 -176.27 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.931 0.396 . . . . 0.0 110.927 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.29 113.1 24.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.07 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.87 28.52 60.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.1 t -122.76 78.25 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 111.131 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 8.1 p-10 -104.46 105.03 14.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.6 t -87.57 105.64 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.9 t -103.93 -21.31 13.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.167 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -150.77 149.01 29.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 mt -82.27 43.24 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.1 p -132.24 -74.2 0.51 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 37' ' ' TRP . 22.4 ptm -81.19 -38.91 26.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.9 m -38.62 -26.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.495 ' N ' ' O ' ' A' ' 35' ' ' MET . 49.2 m95 -102.85 -32.53 9.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 35' ' ' MET . 10.3 mtpt -40.02 -48.19 2.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.4 t -51.13 -55.77 16.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.53 -42.43 1.59 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.498 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.5 mt -45.67 -59.22 2.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -39.44 -70.48 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.1 tp -44.5 -41.49 6.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 79.8 m -66.48 -32.72 74.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -71.57 -17.02 62.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.4 mm -78.95 -44.72 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 97.1 mt -71.29 -38.5 69.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' A' ' 49' ' ' ARG . 11.4 t-80 -72.61 -50.44 25.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' HIS . 14.0 tpt180 -34.9 -42.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -99.37 -51.94 3.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.942 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -122.35 96.71 45.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.599 0.714 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -19.03 36.6 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.65 2.233 . . . . 0.0 112.368 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.83 -55.86 11.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.2 mt -42.7 -60.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.2 tt -119.42 147.61 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -111.36 98.92 7.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -63.74 -55.47 22.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -42.93 -40.54 3.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 p -68.92 -40.69 78.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.0 mt -68.38 146.44 53.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -120.39 139.86 52.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -48.26 -45.33 34.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -47.61 -47.69 28.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.416 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 5.3 m-20 -68.26 110.71 4.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.5 t -98.75 -66.32 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -51.36 -37.2 46.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 68' ' ' ASN . 20.3 tttp -64.96 -69.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 67' ' ' LYS . 5.3 m-80 -36.52 -35.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -79.87 -62.15 1.77 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -44.0 -36.91 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.1 tp -63.06 -69.08 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.56 -59.06 1.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -42.39 -32.27 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -88.8 -59.42 2.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 42.9 mm -47.14 -52.33 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -46.1 -72.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -54.36 -33.62 59.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -59.26 -44.14 92.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -112.53 -65.01 1.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 76' ' ' ALA . 19.6 mt -51.15 -46.26 61.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 103.17 -7.57 52.16 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.486 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.403 HG21 ' CD ' ' A' ' 108' ' ' GLN . 63.6 mt -71.64 108.84 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.361 . . . . 0.0 111.137 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 76.9 p -67.55 129.11 93.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.641 0.734 . . . . 0.0 110.814 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 147.65 63.35 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.2 pt -92.85 -33.34 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.15 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -128.99 174.74 9.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 88' ' ' GLY . 78.2 p -117.28 142.0 47.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.73 -46.95 0.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -47.41 81.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 87' ' ' THR . 4.5 mm-40 -66.63 -21.98 66.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.7 ttm -83.8 -37.24 22.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.42 -27.58 46.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.7 m -83.77 -54.85 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.1 p -52.59 138.47 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.75 -40.14 95.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.458 ' CG ' ' HD2' ' A' ' 97' ' ' PRO . 24.3 tt0 -162.41 139.04 5.98 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.626 0.726 . . . . 0.0 110.879 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.458 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 53.7 Cg_endo -69.8 176.85 6.26 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.659 2.239 . . . . 0.0 112.324 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -102.07 124.87 48.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.831 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -41.33 -52.1 3.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.8 mt -54.24 -65.34 0.59 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.4 m -46.89 -52.82 13.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 84.8 mmm -53.64 -63.4 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.3 t -50.5 -63.17 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.7 mtt -46.49 -49.69 18.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -59.74 -66.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 107' ' ' THR . 44.5 mt -43.13 -48.14 6.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 106' ' ' LEU . 89.5 m -34.96 -47.36 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.403 ' CD ' HG21 ' A' ' 82' ' ' ILE . 51.2 mt-30 -47.03 -47.34 22.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 106' ' ' LEU . 66.8 m-85 -67.63 -49.33 63.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.481 ' O ' ' N ' ' A' ' 114' ' ' LYS . 1.4 t80 -53.97 -60.64 3.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.478 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 13.8 mt-10 -49.51 -30.89 9.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 22.9 tpp -74.54 -35.93 63.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.448 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 23.8 m-85 -113.74 24.95 11.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 110' ' ' TYR . 11.0 pttp -76.84 -38.76 53.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.424 ' N ' ' HG3' ' A' ' 114' ' ' LYS . 22.4 t70 -61.0 -39.22 88.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 115' ' ' ASP . 10.9 p -38.32 121.2 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 87.92 178.94 47.53 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 179.37 3.73 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.246 . . . . 0.0 112.368 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.1 t -162.38 117.14 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 14.5 t -95.82 135.85 37.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 t -77.94 -61.5 1.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 110.91 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.5 p -85.67 147.7 26.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.76 -156.71 12.38 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.461 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 t -103.04 110.08 21.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.883 0.373 . . . . 0.0 110.831 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.7 m -69.76 155.79 39.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.66 87.27 1.05 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.7 p -130.18 137.62 55.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.339 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.36 -19.89 11.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -79.29 178.84 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 99.9 p -41.44 107.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 13' ' ' LYS . 2.4 m -47.59 133.38 13.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 12' ' ' SER . 16.9 mmtp -34.76 -49.19 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 tp -57.8 -56.94 15.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.6 tp -41.1 -57.22 2.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.88 -59.4 2.07 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.478 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.415 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 31.3 t90 -39.73 -48.47 2.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.737 0.303 . . . . 0.0 110.932 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.2 m -65.91 -48.78 70.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -54.7 -36.15 64.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -79.93 -49.2 12.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -61.69 -60.09 4.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.8 p -51.79 -30.39 22.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -44.75 124.18 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.26 -29.34 5.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.519 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.405 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 17.7 m-85 -75.11 -177.15 3.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.936 0.398 . . . . 0.0 110.91 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.55 118.89 35.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.057 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.93 28.87 74.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.497 ' O ' ' N ' ' A' ' 30' ' ' VAL . 39.7 t -117.87 -20.93 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 111.144 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 28' ' ' VAL . 13.5 t30 -36.79 93.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 28' ' ' VAL . 72.9 t -59.53 133.04 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.6 p -118.46 -26.23 6.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -140.72 -175.51 4.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.1 mt -119.23 31.98 6.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.5 p -132.49 -72.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.173 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 38' ' ' LYS . 17.6 mtp -79.22 -46.21 18.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.1 m -38.73 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.429 ' N ' ' O ' ' A' ' 35' ' ' MET . 77.3 m95 -96.53 -33.22 11.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 35' ' ' MET . 8.7 mtpm? -38.9 -45.23 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.3 t -53.06 -59.52 4.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.06 -37.48 2.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 42' ' ' ALA . 83.2 mt -45.9 -59.12 3.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -35.89 -70.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.085 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.6 tp -43.2 -43.8 4.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 67.6 m -64.83 -36.6 84.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.405 ' HB1' ' CE2' ' A' ' 25' ' ' TYR . . . -72.34 -8.28 54.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.5 mm -87.59 -41.46 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 81.4 mt -76.08 -41.17 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.434 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 11.6 t-80 -68.44 -40.97 80.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.6 tpt85 -40.01 -42.04 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -101.69 -52.36 3.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.453 ' NE ' HD12 ' A' ' 54' ' ' LEU . 15.6 mtm180 -122.24 95.7 46.95 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 110.85 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.434 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 54.4 Cg_endo -69.75 -26.07 28.02 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.717 2.278 . . . . 0.0 112.381 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -58.16 -49.54 76.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.453 HD12 ' NE ' ' A' ' 51' ' ' ARG . 16.2 mt -50.4 -65.75 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.5 tt -114.08 132.32 63.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -97.2 105.11 17.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -70.11 -46.83 64.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -51.19 -41.89 60.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.5 p -65.17 -39.06 92.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.2 mt -66.49 168.18 9.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -148.32 131.51 16.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.417 ' CD ' ' N ' ' A' ' 63' ' ' GLN . 3.1 pp20? -39.91 -45.37 1.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.417 ' N ' ' CD ' ' A' ' 62' ' ' GLU . 72.4 mt-30 -42.09 -53.27 4.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.402 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 5.7 m-20 -69.92 115.09 8.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.423 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 73.6 t -101.25 -59.32 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.147 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -58.27 -42.2 86.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 68' ' ' ASN . 15.4 ttpp -58.71 -66.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 67' ' ' LYS . 6.3 m-80 -36.12 -42.79 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 65' ' ' VAL . 71.5 m-80 -72.13 -61.84 1.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -43.24 -40.58 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 32.7 tp -61.65 -68.64 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.83 -50.31 4.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -51.79 -35.29 43.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -82.73 -57.6 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.2 mm -51.37 -54.54 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -44.94 -66.59 0.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -57.55 -35.73 70.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -57.63 -47.02 83.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -108.02 -66.28 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 76' ' ' ALA . 32.6 mt -49.32 -41.58 38.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 97.45 -7.97 64.05 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 71.2 mt -70.25 111.85 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 111.117 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.8 p -68.13 131.62 92.08 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.705 0.764 . . . . 0.0 110.824 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 136.72 33.56 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.638 2.225 . . . . 0.0 112.33 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.9 pt -85.56 -24.44 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 75.2 mtm -141.18 163.8 31.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 88' ' ' GLY . 81.7 p -101.34 138.29 38.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -35.5 -41.66 0.38 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.46 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -62.64 -52.39 63.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.751 0.31 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -58.44 -32.49 68.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.7 tpt -71.9 -37.79 70.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.83 -26.41 40.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.075 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.2 t -83.13 -51.99 7.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.1 p -50.06 150.94 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.07 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -80.51 -36.18 24.01 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.458 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -165.48 131.67 2.09 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.619 0.723 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 171.27 14.78 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.31 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -96.56 128.97 44.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -47.62 -47.71 28.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.3 mt -56.79 -72.15 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.1 p -41.73 -54.6 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 89.8 mmm -51.08 -62.49 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 69.7 t -49.63 -56.44 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 59.7 mtm -50.26 -61.98 1.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -48.86 -61.51 2.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 108' ' ' GLN . 22.9 mt -46.78 -49.53 19.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.7 m -38.15 -28.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 106' ' ' LEU . 48.8 mt-30 -63.65 -46.76 84.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 106' ' ' LEU . 50.8 m-85 -66.55 -43.17 85.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 114' ' ' LYS . 2.5 t80 -60.85 -61.83 2.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.949 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.446 ' HA ' ' CD ' ' A' ' 114' ' ' LYS . 15.9 mt-10 -52.9 -23.36 6.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 16.5 tpp -78.8 -26.7 44.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.415 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 21.1 m-85 -131.32 29.81 4.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.446 ' CD ' ' HA ' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -81.02 -42.3 21.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.83 -49.03 76.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.6 t -40.27 144.82 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 105.41 -145.82 15.98 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 154.11 68.17 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.366 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.9 m -100.01 132.88 45.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 25.6 m -138.0 114.9 10.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t 53.09 42.24 32.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.936 0.398 . . . . 0.0 110.855 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.5 p -133.21 147.1 51.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.71 79.15 1.44 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.503 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.4 p -120.35 155.94 32.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.867 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 t -73.35 -55.65 6.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.04 55.06 8.31 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.1 t -56.6 -55.94 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 111.127 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.92 90.59 2.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.066 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 47.6 mtt85 -145.21 144.47 30.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.9 t -49.38 116.8 1.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -85.66 159.52 19.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -42.42 84.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.1 tp -67.56 -46.29 73.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 16' ' ' GLY . 53.7 tp -47.68 -64.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -35.15 -53.89 0.92 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.465 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -51.63 -55.22 20.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.749 0.309 . . . . 0.0 110.914 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.487 ' O ' ' CG2' ' A' ' 22' ' ' THR . 78.1 m -55.42 -36.95 67.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -71.42 -35.53 71.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -78.12 -30.91 49.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -84.7 -53.93 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 30.8 p -60.53 -11.94 8.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.88 124.87 21.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.56 -31.13 4.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 45' ' ' ALA . 60.7 m-85 -75.07 170.56 15.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.893 0.378 . . . . 0.0 110.887 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -111.59 127.06 55.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.128 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.01 -32.64 5.74 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.419 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.449 ' O ' ' C ' ' A' ' 29' ' ' ASN . 16.5 t -53.74 -68.48 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 111.124 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 28' ' ' VAL . 24.3 t30 34.49 46.03 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.6 t -44.42 106.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.459 HG23 ' N ' ' A' ' 32' ' ' ASP . 8.9 t -106.56 -35.57 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.459 ' N ' HG23 ' A' ' 31' ' ' THR . 9.0 m-20 -128.7 148.53 50.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mt -85.77 40.66 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.3 p -131.38 -73.01 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 38' ' ' LYS . 8.3 ptp -78.54 -42.59 28.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 35' ' ' MET . 67.7 m -35.11 -33.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.513 ' CE2' HD12 ' A' ' 106' ' ' LEU . 37.1 m95 -95.84 -36.27 11.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 35' ' ' MET . 20.4 mtpp -35.5 -52.29 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.4 p -54.02 -58.64 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.37 -36.3 2.61 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.9 mt -44.81 -57.49 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.795 0.331 . . . . 0.0 110.938 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -41.43 -71.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.9 tp -42.26 -45.23 4.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 83.4 m -65.33 -32.02 73.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 25' ' ' TYR . . . -75.59 -24.63 56.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 30.4 mm -72.27 -55.64 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 52.5 mt -58.14 -44.97 88.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.423 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 19.3 t-80 -66.31 -46.1 78.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 48' ' ' HIS . 19.1 tpt180 -36.0 -44.8 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 113' ' ' PHE . 15.0 m-85 -96.75 -52.52 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.8 mmt-85 -120.86 95.65 48.88 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.576 0.703 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.423 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.77 -20.24 35.06 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.81 -51.2 63.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.441 ' CD1' HD23 ' A' ' 80' ' ' LEU . 37.2 mt -49.3 -56.49 9.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 8.5 tt -127.78 143.36 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -107.86 106.18 16.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -76.63 -31.3 57.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -65.96 -17.84 64.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -95.38 -41.5 8.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.1 mt -56.67 151.4 13.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.471 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 4.7 m-20 -116.29 131.01 57.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -46.98 -49.48 20.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 64' ' ' ASN . 5.5 pt20 -46.43 -34.06 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.501 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 52.5 m-20 -74.39 109.74 8.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.413 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 56.1 t -100.47 -68.12 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -54.39 -36.47 63.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -66.04 -63.51 1.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 64' ' ' ASN . 4.9 m-80 -39.46 -30.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 65' ' ' VAL . 71.0 m-80 -83.4 -62.32 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.835 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -42.53 -34.75 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.8 tp -67.31 -66.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.3 -57.24 4.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -45.42 -23.15 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -95.7 -60.19 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.2 mm -50.98 -48.71 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -46.55 -72.56 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -53.59 -45.81 70.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.405 ' HA ' ' NZ ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -42.75 -54.66 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -103.99 -64.08 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 76' ' ' ALA . 16.3 mt -51.47 -50.0 60.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 106.65 -3.99 36.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 79.5 mt -71.91 101.53 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.809 0.338 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.8 t -64.48 131.84 95.2 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.64 0.733 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 149.39 66.86 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.4 pt -97.13 -26.46 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.3 mtm -135.67 -174.99 3.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 35.0 p -115.51 146.98 41.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -44.54 -45.24 8.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -66.08 -42.04 89.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.778 0.323 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -66.33 -25.74 66.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 17.2 tpp -78.45 -35.63 46.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -83.27 -19.87 35.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.05 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 t -87.92 -47.65 8.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.1 p -54.53 154.89 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.1 -43.97 7.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -156.25 133.44 6.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.663 0.744 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.411 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 54.0 Cg_endo -69.81 176.73 6.42 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.31 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 99' ' ' LYS . 46.2 t0 -98.79 114.46 27.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 98' ' ' ASP . 27.4 tptt -35.5 -50.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.8 mt -57.78 -74.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.8 t -38.24 -45.19 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.797 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.411 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 94.3 mmm -61.36 -62.89 1.5 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.6 t -49.17 -50.58 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.421 ' O ' ' N ' ' A' ' 107' ' ' THR . 63.5 mtm -59.72 -73.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 104' ' ' MET . 55.8 t80 -37.13 -44.01 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.513 HD12 ' CE2' ' A' ' 37' ' ' TRP . 31.3 mt -65.49 -45.7 82.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.945 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 104' ' ' MET . 18.1 m -36.47 -45.99 0.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -46.32 -51.62 14.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -59.84 -48.74 80.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 114' ' ' LYS . 2.9 t80 -57.64 -65.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.445 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 35.8 mt-10 -48.34 -28.87 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 20.1 tpp -74.18 -36.15 64.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.555 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 27.8 m-85 -112.57 18.17 18.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 110' ' ' TYR . 51.1 pttt -63.7 -44.93 92.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' A' ' 114' ' ' LYS . 4.6 t0 -68.99 -60.98 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.868 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 52.2 m -51.34 121.56 6.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 153.61 157.26 8.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 124.47 11.12 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 0.0 112.35 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 21.9 t -76.43 95.21 3.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 121' ' ' GLY . 68.0 m -80.16 -52.6 7.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 120' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.1 t -99.73 42.52 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 m -80.73 142.85 33.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.838 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.55 116.95 0.43 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -75.62 -50.07 16.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.876 0.37 . . . . 0.0 110.84 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.6 p -64.86 175.95 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.432 ' HA3' ' CZ ' ' A' ' 10' ' ' ARG . . . -65.94 92.04 0.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.5 m -61.03 144.27 13.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.788 0.328 . . . . 0.0 111.154 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 46.22 42.97 10.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.432 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 19.2 tpp180 -58.13 133.44 55.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 63.2 m 63.65 44.04 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.7 m -45.61 142.47 2.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.14 -42.92 51.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.7 tp -53.02 -48.46 67.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.9 tp -47.52 -55.95 8.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.47 -58.28 4.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.45 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 51.4 t90 -42.13 -52.38 4.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.762 0.315 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 66.5 m -61.99 -52.27 64.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -47.8 -42.58 26.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -75.71 -49.16 19.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -59.75 -64.4 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.2 p -47.05 -44.39 20.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -37.94 128.44 1.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.87 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.61 -30.92 5.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -71.61 -177.83 2.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 0.0 110.912 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.07 121.38 43.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.52 25.64 70.28 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.9 t -121.15 71.72 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.849 0.357 . . . . 0.0 111.115 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 29' ' ' ASN . 38.5 t-20 -104.33 90.85 3.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.27 105.24 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.9 p -106.42 -37.17 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -117.18 -175.01 2.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 49.5 mt -121.86 20.3 10.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.2 p -130.41 -72.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 95.6 mtp -69.92 -38.67 76.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.8 t -44.29 -35.4 2.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.516 ' CH2' HD21 ' A' ' 106' ' ' LEU . 48.4 m95 -93.57 -33.05 13.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.97 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -39.4 -37.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.7 t -60.72 -58.89 6.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.22 -36.36 2.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.8 mt -47.27 -65.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.948 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -37.79 -69.71 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 tp -40.26 -43.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 79.9 m -67.33 -40.17 85.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -64.47 -29.25 70.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.06 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.3 mm -64.66 -54.33 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.7 mt -62.26 -46.53 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 15.6 t-80 -65.45 -40.77 93.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.825 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.2 tpt85 -39.75 -42.63 1.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -102.69 -50.53 3.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.5 mmt-85 -120.58 95.76 48.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.589 0.709 . . . . 0.0 110.85 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.546 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.7 -27.7 26.46 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.695 2.263 . . . . 0.0 112.398 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -55.28 36.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 29.2 mt -43.93 -62.65 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.9 tt -115.08 132.25 64.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -99.19 90.87 4.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -66.2 -30.71 71.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.14 -38.76 80.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.9 t -74.22 -44.25 53.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.7 mt -53.63 166.9 0.27 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -132.83 140.88 48.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -54.53 -44.01 72.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -56.36 -43.58 79.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -64.34 111.99 2.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.1 t -101.38 -65.14 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -51.94 -27.92 14.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.7 OUTLIER -76.4 -67.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 67' ' ' LYS . 3.7 m-80 -35.43 -32.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 67' ' ' LYS . 80.8 m-20 -83.58 -60.31 2.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -44.16 -39.56 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.73 -67.45 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.4 -58.67 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -43.79 -26.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -93.61 -58.92 2.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.807 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.4 mm -50.58 -50.31 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -46.45 -72.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -54.04 -39.73 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -50.21 -49.42 52.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -109.58 -65.81 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 76' ' ' ALA . 42.5 mt -47.45 -48.12 26.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 105.53 -5.45 40.79 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.494 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.437 HD12 ' CB ' ' A' ' 108' ' ' GLN . 58.6 mt -74.48 103.22 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.812 0.339 . . . . 0.0 111.145 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.9 p -62.24 132.7 94.06 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.685 0.755 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 131.53 21.38 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 2.268 . . . . 0.0 112.365 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 28.4 pt -76.62 -21.45 14.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 68.9 mtm -148.84 168.75 22.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 90' ' ' GLU . 28.8 p -100.72 141.34 33.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.136 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -37.12 -44.89 1.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.524 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -61.45 -40.22 93.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.742 0.306 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 87' ' ' THR . 27.9 mm-40 -67.77 -29.25 68.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.2 ttt -77.95 -23.32 48.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -88.91 -24.23 22.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.3 t -87.78 -46.8 9.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.8 p -56.57 150.93 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -82.41 -34.99 21.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.445 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -163.46 134.78 3.65 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.598 0.713 . . . . 0.0 110.932 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 157.16 61.35 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.701 2.267 . . . . 0.0 112.374 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 99' ' ' LYS . 24.2 t0 -81.08 114.4 19.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 98' ' ' ASP . 18.9 tptm -33.98 -73.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 99' ' ' LYS . 50.3 mt -37.46 -54.74 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.0 m -55.24 -41.89 72.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 99' ' ' LYS . 90.4 mmm -66.3 -61.29 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 85.3 t -47.98 -54.42 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 64.0 mtm -56.28 -71.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -40.74 -47.58 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.516 HD21 ' CH2' ' A' ' 37' ' ' TRP . 71.1 mt -62.38 -39.74 94.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 39.6 m -47.43 -32.99 5.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.437 ' CB ' HD12 ' A' ' 82' ' ' ILE . 41.3 mt-30 -58.52 -43.87 89.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -70.11 -43.06 71.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 114' ' ' LYS . 1.8 t80 -63.88 -63.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.474 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 9.6 mm-40 -45.27 -37.43 4.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 12.5 ttp -72.51 -41.2 66.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -105.65 28.44 7.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 110' ' ' TYR . 14.4 pttp -82.61 -40.88 20.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 116' ' ' SER . 1.1 p-10 -83.43 -46.08 12.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 115' ' ' ASP . 48.2 t -37.88 -42.09 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -69.25 161.76 52.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -8.12 22.79 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.701 2.267 . . . . 0.0 112.322 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.5 t -144.31 141.8 30.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 77.4 p -97.2 174.08 6.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 -179.974 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 p -126.04 171.58 10.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.921 0.391 . . . . 0.0 110.839 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.7 m -142.36 140.91 32.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.52 144.89 15.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 m -49.62 123.21 7.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.937 0.398 . . . . 0.0 110.811 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 m -50.1 177.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.77 89.99 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.6 m -65.68 150.87 10.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 111.157 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.69 130.83 46.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -71.68 173.68 7.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.3 m -74.71 91.08 2.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.9 t -82.71 146.36 29.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt -45.09 -50.5 11.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.8 tp -58.65 -49.36 77.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.2 tp -44.87 -59.49 2.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -40.39 -53.15 3.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.512 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 57.2 t90 -51.97 -56.08 16.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.765 0.317 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.4 m -56.44 -49.94 73.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -51.67 -40.52 60.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.1 mmt-85 -73.88 -51.92 14.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -61.66 -63.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.413 ' CG2' HD12 ' A' ' 46' ' ' ILE . 82.0 p -46.98 -38.39 10.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 22' ' ' THR . 18.2 t70 -36.91 130.96 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.51 -39.3 2.61 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.458 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -70.03 174.88 4.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.896 0.379 . . . . 0.0 110.925 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.88 137.57 51.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.116 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.15 -38.15 3.08 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.458 ' O ' ' C ' ' A' ' 29' ' ' ASN . 84.2 t -50.35 -67.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.458 ' C ' ' O ' ' A' ' 28' ' ' VAL . 9.9 t-20 33.84 51.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.5 t -44.08 109.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.0 p -106.51 -38.63 6.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -126.22 -175.13 3.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 69.2 mt -121.31 27.21 8.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.2 p -125.02 -66.1 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 37' ' ' TRP . 12.2 ptp -88.44 -41.94 12.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' MET . 5.4 p -37.47 -30.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' MET . 60.9 m95 -98.77 -34.58 10.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 37' ' ' TRP . 5.5 mtpm? -34.33 -44.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.1 p -57.54 -59.6 4.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.07 -42.09 1.47 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.3 mt -42.45 -49.1 5.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.354 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.88 -57.85 8.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 tp -57.23 -47.91 80.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.5 m -60.2 -35.01 74.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.26 -32.09 73.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.058 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.413 HD12 ' CG2' ' A' ' 22' ' ' THR . 37.1 mm -65.86 -51.19 64.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.4 mt -63.14 -44.1 99.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.512 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 9.5 t-80 -66.8 -49.51 65.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' HIS . 14.8 tpt180 -34.03 -52.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.407 ' CE2' ' HB3' ' A' ' 113' ' ' PHE . 7.6 m-85 -87.6 -46.71 9.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.7 mmt-85 -129.83 96.75 25.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.563 0.697 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.512 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.81 -33.67 15.95 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.66 -57.69 9.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 35.7 mt -42.57 -61.53 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.4 tt -121.84 133.4 68.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -98.4 103.73 15.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -72.65 -55.21 7.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -43.68 -41.28 4.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.7 m -67.11 -48.81 67.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.9 mt -52.73 156.11 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.432 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 3.7 m-20 -116.8 139.4 50.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -55.59 -36.92 67.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -57.65 -46.28 84.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.443 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 60.0 m-20 -66.72 113.0 4.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 96.8 t -101.04 -63.36 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -56.14 -38.39 70.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -60.98 -62.33 1.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 64' ' ' ASN . 8.7 m-80 -43.18 -45.0 5.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -68.47 -59.74 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -43.78 -47.29 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.0 tp -59.53 -68.47 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.24 -56.52 5.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.067 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -44.39 -34.47 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -84.82 -60.96 1.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.3 mm -47.47 -54.27 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -41.73 -69.09 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.083 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.421 ' HA ' ' C ' ' A' ' 81' ' ' GLY . 15.8 tt0 -56.78 -40.25 75.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -51.1 -50.01 59.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -106.01 -65.19 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 76' ' ' ALA . 34.4 mt -52.19 -40.19 61.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.421 ' C ' ' HA ' ' A' ' 77' ' ' GLU . . . 102.04 -19.54 48.81 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.546 HG23 ' CE1' ' A' ' 109' ' ' PHE . 73.5 mt -60.94 100.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 111.103 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.8 t -63.24 132.06 94.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.673 0.749 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 127.38 14.51 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.408 HG13 ' N ' ' A' ' 86' ' ' MET . 28.1 pt -65.95 -30.83 51.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.408 ' N ' HG13 ' A' ' 85' ' ' ILE . 6.3 ptp -152.69 159.0 43.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 70.2 p -80.74 150.87 29.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -48.38 -44.52 28.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.524 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.76 -58.13 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.311 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -54.82 -41.47 70.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.7 tpp -57.72 -32.6 67.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.0 -38.37 36.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.6 m -70.04 -54.98 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.8 p -50.56 130.39 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.88 -47.8 87.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.541 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -149.95 134.31 9.22 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.651 0.739 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 172.36 12.82 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.308 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 99' ' ' LYS . 29.9 t0 -94.99 114.98 26.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 98' ' ' ASP . 18.8 tptm -35.12 -50.01 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 15.4 mt -55.25 -65.93 0.5 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 t -46.16 -45.64 16.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 89.8 mmm -60.43 -62.86 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.42 ' CG2' ' HE2' ' A' ' 99' ' ' LYS . 96.3 t -51.19 -57.33 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 41.2 mtm -51.05 -58.8 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -49.6 -61.95 1.83 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 107' ' ' THR . 96.8 mt -49.13 -50.22 38.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 106' ' ' LEU . 35.2 m -33.04 -52.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.417 ' CD ' HG22 ' A' ' 82' ' ' ILE . 54.3 mt-30 -39.98 -58.93 1.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.546 ' CE1' HG23 ' A' ' 82' ' ' ILE . 79.2 m-85 -52.61 -48.44 66.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.516 ' CD1' ' N ' ' A' ' 111' ' ' GLU . 0.8 OUTLIER -56.98 -58.63 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.867 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.516 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 33.9 mt-10 -50.81 -37.9 45.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 19.7 ttp -71.71 -43.38 66.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.407 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 19.9 m-85 -105.93 35.9 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 110' ' ' TYR . 16.9 pttp -83.97 -43.86 14.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -70.6 -48.69 53.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.3 m -53.91 106.55 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -123.9 169.05 16.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -175.21 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.601 2.2 . . . . 0.0 112.366 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.1 t -112.55 140.73 47.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 31.8 p -61.23 -48.38 81.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.483 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -70.23 93.57 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.889 0.376 . . . . 0.0 110.886 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.9 p -109.18 127.42 54.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.96 174.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.518 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.4 p -75.92 150.92 37.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 110.894 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.4 m -142.21 159.52 42.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.8 83.32 0.33 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.7 t -59.24 105.51 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 111.167 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.23 123.14 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -67.45 103.25 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.8 m -59.4 115.7 3.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 13' ' ' LYS . 16.0 m -74.59 139.06 43.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 12' ' ' SER . 40.9 tptt -34.43 -55.49 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.4 tp -55.47 -56.08 24.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.443 ' HB2' ' CD1' ' A' ' 33' ' ' LEU . 17.9 tp -43.69 -59.59 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -36.59 -49.05 1.31 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.428 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 37.1 t90 -52.2 -52.71 50.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.717 0.294 . . . . 0.0 110.912 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 73.4 m -58.88 -54.68 44.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -48.68 -38.09 20.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -76.11 -47.97 22.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -66.59 -64.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.4 p -44.2 -34.4 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -39.9 120.71 1.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.15 -33.68 2.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.473 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -77.32 148.55 35.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.901 0.381 . . . . 0.0 110.936 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.86 126.69 36.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.35 -20.97 27.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 28' ' ' VAL . 97.8 t -82.63 60.86 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 111.102 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 11.3 p-10 -87.28 89.33 7.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.9 t -74.48 98.64 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.8 t -105.55 -20.69 13.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.54 144.46 30.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 15' ' ' LEU . 85.5 mt -84.0 39.85 0.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.2 p -134.8 -63.36 0.7 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.436 ' O ' ' N ' ' A' ' 38' ' ' LYS . 6.4 mtt -85.63 -40.82 15.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.3 m -42.87 -25.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.404 ' N ' ' C ' ' A' ' 35' ' ' MET . 57.7 m95 -102.79 -26.74 13.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 35' ' ' MET . 6.2 mtpm? -47.32 -39.74 15.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.8 p -65.89 -40.82 91.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.16 -34.83 5.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.469 HD21 ' CZ ' ' A' ' 57' ' ' PHE . 97.3 mt -43.41 -62.78 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -35.58 -71.27 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 tp -43.7 -41.33 4.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 44.5 m -66.7 -36.13 81.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.92 -25.78 61.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.052 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.1 mm -67.47 -52.43 41.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.5 mt -64.77 -43.77 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.513 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 26.9 t-80 -63.31 -44.76 94.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.8 tpt85 -37.93 -51.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -90.57 -52.35 4.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.6 mtt-85 -120.73 95.79 48.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.513 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.78 -18.14 37.09 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.316 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -70.03 -55.84 8.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 29.1 mt -41.99 -57.93 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.7 tt -121.41 147.89 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -111.49 105.52 14.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.469 ' CZ ' HD21 ' A' ' 41' ' ' LEU . 35.2 t80 -78.39 -47.44 17.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -48.1 -37.91 16.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 t -74.94 -50.68 15.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.7 mt -49.95 169.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -140.13 154.41 46.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -70.9 -37.78 72.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -55.33 -31.4 61.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -89.6 114.99 26.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 87.2 t -101.04 -68.51 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -45.18 -34.9 2.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 68' ' ' ASN . 5.9 mptt -66.36 -75.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 67' ' ' LYS . 13.3 m-80 -34.88 -45.07 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -62.88 -61.94 2.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -45.7 -42.66 11.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.5 tp -58.35 -69.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.03 -56.84 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -46.0 -25.39 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -94.22 -61.46 1.52 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.2 mm -48.4 -48.45 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.104 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -47.64 -71.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -51.96 -36.68 50.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -58.07 -47.31 83.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -107.63 -70.17 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 76' ' ' ALA . 20.5 mt -47.68 -32.18 5.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.3 8.79 84.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.487 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.452 HG23 ' CB ' ' A' ' 108' ' ' GLN . 87.7 mt -86.82 111.43 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.872 0.368 . . . . 0.0 111.124 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.8 m -67.04 130.63 93.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.636 0.731 . . . . 0.0 110.848 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 137.32 35.06 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.654 2.236 . . . . 0.0 112.371 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.9 pt -86.69 -23.88 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 58.9 mtm -137.15 169.35 17.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 39.6 p -110.77 146.38 36.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.44 -47.24 3.69 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.5 -58.88 6.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -52.62 -31.64 37.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 3.5 tpp -69.82 -42.64 73.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.52 -17.06 60.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 m -87.14 -45.56 10.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.98 141.51 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.112 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.3 -29.91 59.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -169.48 130.52 1.01 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.898 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.446 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 53.8 Cg_endo -69.73 164.38 34.72 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.377 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -90.34 129.79 36.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.829 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -45.98 -60.61 2.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 61.3 mt -47.78 -66.47 0.4 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.4 m -44.08 -55.75 4.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.446 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 87.3 mmm -52.15 -63.8 1.02 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.9 t -46.15 -51.81 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 17.4 mtt -52.96 -56.26 17.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -57.01 -58.84 6.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 109' ' ' PHE . 21.8 mt -47.6 -48.99 28.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 106' ' ' LEU . 99.2 m -34.06 -49.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.452 ' CB ' HG23 ' A' ' 82' ' ' ILE . 53.7 mt-30 -47.78 -46.58 30.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' A' ' 106' ' ' LEU . 65.9 m-85 -65.1 -32.01 73.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.519 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 1.6 t80 -75.71 -63.89 1.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.519 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 45.5 mt-10 -46.39 -25.05 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 47.0 tpp -76.48 -35.85 58.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.428 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 29.8 m-85 -123.49 29.69 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 110' ' ' TYR . 44.7 pttt -79.93 -36.86 35.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.29 -40.77 62.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.3 p -37.64 122.92 0.98 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -125.88 -157.9 9.76 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 143.97 52.98 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.261 . . . . 0.0 112.385 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 69.4 p -95.22 -56.22 2.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.5 m -85.83 171.23 11.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -96.42 172.62 7.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.367 . . . . 0.0 110.871 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.3 p -56.95 101.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.9 -147.19 50.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 p -131.95 133.88 45.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.904 0.383 . . . . 0.0 110.857 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -60.75 -61.13 2.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.64 -127.05 4.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.471 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.3 m -76.15 127.0 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.854 0.359 . . . . 0.0 111.14 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.18 139.1 58.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 11' ' ' SER . 55.4 mtp85 -59.4 179.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 10' ' ' ARG . 30.0 p -36.69 120.44 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.5 t -69.08 150.69 47.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.802 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.38 -53.73 16.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.946 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.445 HD23 ' CB ' ' A' ' 106' ' ' LEU . 13.7 tp -60.38 -46.54 89.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 16' ' ' GLY . 23.7 tp -46.47 -63.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -34.35 -55.48 0.75 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.492 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.489 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 53.7 t90 -47.41 -55.79 8.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.764 0.316 . . . . 0.0 110.931 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 81.4 m -57.49 -50.03 74.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -49.28 -38.7 28.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -78.83 -49.76 12.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -60.38 -62.48 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' ASP . 66.6 p -48.94 -43.66 39.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' THR . 7.2 t70 -36.71 133.48 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.02 -37.56 3.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -61.54 -178.62 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.913 0.387 . . . . 0.0 110.91 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.19 109.24 18.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.46 21.97 57.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.503 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.6 t -115.88 72.83 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 111.156 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -98.18 111.31 23.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.409 HG11 ' CD1' ' A' ' 15' ' ' LEU . 53.8 t -89.99 111.7 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.4 p -111.71 -39.04 4.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -142.96 139.71 30.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.7 mt -75.67 48.26 0.45 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.2 p -135.03 -72.49 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' LYS . 32.0 mtp -84.98 -46.58 11.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 35' ' ' MET . 12.9 t -35.87 -33.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.493 ' CH2' HD23 ' A' ' 106' ' ' LEU . 48.6 m95 -93.91 -37.92 11.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.949 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 35' ' ' MET . 5.0 mtpm? -34.4 -40.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.3 p -60.38 -54.29 47.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.26 -39.79 2.21 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.524 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.7 mt -44.5 -65.23 0.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -39.27 -54.7 1.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.7 tp -56.56 -41.02 76.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 72.7 m -67.43 -34.73 77.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.24 -27.83 67.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.4 mm -65.64 -63.3 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.1 mt -57.51 -42.72 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 49' ' ' ARG . 33.2 t-80 -62.4 -49.69 74.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 48' ' ' HIS . 10.4 ttt85 -34.73 -59.88 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.427 ' CZ ' ' HB3' ' A' ' 113' ' ' PHE . 24.0 m-85 -78.86 -52.47 8.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 25.1 mtt-85 -123.82 96.25 43.21 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.602 0.715 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -27.23 26.73 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -59.34 -56.86 16.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 24.0 mt -40.4 -62.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.8 tt -115.77 132.6 64.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -93.96 96.73 9.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -70.96 -44.52 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.71 -34.46 52.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.2 m -74.8 -46.44 36.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.797 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.6 mt -53.93 166.33 0.37 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -138.08 147.24 43.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 63' ' ' GLN . 11.3 pt-20 -56.81 -43.3 80.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.448 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 14.4 pt20 -56.83 -28.47 61.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -80.98 115.44 20.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.9 t -106.85 -67.4 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -50.98 -37.1 42.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 68' ' ' ASN . 46.4 tttt -66.2 -69.17 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 67' ' ' LYS . 11.3 m-80 -34.89 -44.15 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -74.48 -58.21 3.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -43.07 -44.8 5.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.73 -68.04 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -40.5 -57.41 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -45.56 -34.24 3.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -86.15 -61.72 1.68 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.6 mm -45.1 -51.75 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -45.78 -73.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.073 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -46.23 59.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -44.0 -56.49 3.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -100.4 -64.61 1.03 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 76' ' ' ALA . 19.7 mt -50.6 -58.29 6.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 113.87 0.22 24.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.407 HG21 ' CD ' ' A' ' 108' ' ' GLN . 66.2 mt -78.56 98.4 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.843 0.354 . . . . 0.0 111.115 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.3 p -59.12 132.28 87.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.721 0.772 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.37 53.82 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.707 2.271 . . . . 0.0 112.345 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.6 pt -90.67 -22.62 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 67.9 mtm -144.83 168.33 20.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 88' ' ' GLY . 2.4 p -102.25 141.67 34.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.08 -50.74 1.21 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -55.54 -44.57 76.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 87' ' ' THR . 4.8 mm-40 -64.86 -35.92 82.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.6 tpp -66.02 -48.74 70.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.63 -31.93 70.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.6 m -74.11 -55.39 6.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.42 HG21 ' N ' ' A' ' 95' ' ' GLY . 7.4 p -49.83 149.54 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.42 ' N ' HG21 ' A' ' 94' ' ' VAL . . . -79.67 -40.62 14.59 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -160.9 132.33 3.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 110.872 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 176.02 7.37 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.695 2.264 . . . . 0.0 112.316 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -101.94 124.99 48.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -39.35 -67.5 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 54.5 mt -42.53 -64.75 0.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 m -44.32 -55.99 4.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.811 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 93.0 mmm -52.95 -63.91 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 72.7 t -46.74 -64.13 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.177 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 9.4 mtm -42.66 -54.62 3.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -57.68 -66.61 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.493 HD23 ' CH2' ' A' ' 37' ' ' TRP . 61.1 mt -40.52 -50.01 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 106' ' ' LEU . 92.2 m -34.03 -57.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 107' ' ' THR . 63.1 mt-30 -34.9 -47.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -65.47 -50.27 65.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' A' ' 111' ' ' GLU . 1.0 OUTLIER -58.92 -62.57 1.78 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.84 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.563 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 7.9 mm-40 -44.63 -22.42 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.6 ttp -91.2 -31.01 16.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.489 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 24.2 m-85 -115.88 31.36 6.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -87.84 -40.49 13.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 115' ' ' ASP . 31.9 p30 -133.93 37.83 3.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.0 t -46.25 -40.12 11.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -111.23 -152.63 12.49 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 147.15 62.21 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.7 m -147.99 155.23 41.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 75.1 m -47.67 170.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.524 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -164.3 140.31 6.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 0.0 110.863 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 m -116.05 166.95 11.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.47 171.23 32.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.441 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 6' ' ' SER . 75.5 m -70.1 159.71 33.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.871 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 5' ' ' SER . 14.9 t -37.97 -49.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.91 158.07 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.04 145.3 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 111.102 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 42.27 45.57 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 10' ' ' ARG . 1.1 ptm85 -116.06 175.9 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.5 p -45.19 113.46 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -82.7 139.92 33.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -37.8 -47.6 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.8 tp -61.87 -51.99 65.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.47 HD13 ' CD2' ' A' ' 33' ' ' LEU . 20.0 tp -43.75 -56.38 3.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -37.97 -60.27 1.31 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.458 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.535 ' CE2' ' HG3' ' A' ' 21' ' ' GLN . 6.0 t90 -46.2 -71.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.489 ' O ' ' CG2' ' A' ' 22' ' ' THR . 84.4 m -33.9 -46.55 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -64.53 -49.49 71.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' TRP . 35.0 mtt85 -60.55 -47.9 84.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.579 ' N ' ' CD ' ' A' ' 21' ' ' GLN . 1.2 mm100 -66.5 -58.58 4.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 59.1 p -51.52 -45.39 62.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 22' ' ' THR . 6.9 t70 -35.18 120.54 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.48 -33.42 3.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.483 ' CE2' ' HB3' ' A' ' 45' ' ' ALA . 19.2 m-85 -65.54 -175.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.388 . . . . 0.0 110.92 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.21 108.23 14.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.066 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.82 19.5 59.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.9 t -114.45 64.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.865 0.364 . . . . 0.0 111.177 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -89.15 110.42 21.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 81.2 t -89.16 108.38 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.5 p -119.65 -22.63 6.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -135.34 170.51 15.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.47 ' CD2' HD13 ' A' ' 15' ' ' LEU . 78.4 mt -116.12 28.77 8.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.9 p -132.08 -59.34 0.94 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.47 ' O ' ' N ' ' A' ' 37' ' ' TRP . 8.3 mmt -87.04 -48.67 7.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.8 t -40.14 -25.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.56 ' CH2' HD23 ' A' ' 106' ' ' LEU . 69.7 m95 -100.45 -33.77 10.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 35' ' ' MET . 3.2 mtpt -38.23 -35.74 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.4 p -65.11 -54.81 24.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.816 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.33 -40.71 2.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.455 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 92.6 mt -39.3 -66.87 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -33.79 -67.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.059 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.5 tp -44.06 -39.78 4.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' LEU . 27.1 m -69.41 -39.18 78.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.483 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . . . -64.44 -27.47 69.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.5 mm -66.21 -62.51 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 80.6 mt -54.37 -45.27 68.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 49' ' ' ARG . 43.1 t-80 -66.67 -47.18 73.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 48' ' ' HIS . 26.7 tpt85 -34.28 -48.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -98.68 -48.04 5.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.8 mtt85 -120.56 96.05 48.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.652 0.739 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -29.92 22.97 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.324 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' LEU . 8.3 t70 -56.27 -64.25 0.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' ASP . 12.7 mt -37.07 -62.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.9 tt -116.72 129.47 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -99.04 97.32 8.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.455 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 32.2 t80 -65.41 -38.22 89.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -45.15 -45.66 11.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -70.0 -53.56 17.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.791 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 75.4 mt -51.84 154.28 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -127.91 179.62 5.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -85.03 -24.58 28.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -72.94 -28.46 62.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.451 ' HB2' ' ND2' ' A' ' 68' ' ' ASN . 81.2 m-20 -79.25 115.43 18.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.3 t -105.13 -64.3 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -56.57 -42.42 78.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -61.3 -62.33 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.451 ' ND2' ' HB2' ' A' ' 64' ' ' ASN . 4.6 m-80 -41.42 -30.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -85.46 -64.14 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -39.97 -40.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.7 tp -64.86 -67.81 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.15 -52.29 7.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -51.92 -30.65 25.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -87.89 -64.03 1.21 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 16.5 mm -45.09 -49.94 2.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -44.55 -73.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -53.69 -43.15 68.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -45.04 -52.65 8.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -106.38 -63.34 1.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 76' ' ' ALA . 33.5 mt -51.05 -51.87 48.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.89 -7.39 29.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 89.5 mt -73.62 103.6 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.337 . . . . 0.0 111.115 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.6 m -66.72 131.43 94.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.652 0.739 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 131.61 21.56 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.706 2.27 . . . . 0.0 112.33 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.4 pt -75.18 -22.49 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 7.2 ptp -146.21 167.16 24.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 90' ' ' GLU . 71.9 p -100.5 139.11 36.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.51 -38.09 0.25 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -64.26 -44.8 90.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.739 0.304 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 87' ' ' THR . 5.6 mm-40 -65.77 -21.0 66.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.7 tpp -85.31 -29.83 24.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.53 -38.11 35.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.8 t -74.27 -55.39 6.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.4 p -50.41 135.04 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.5 -41.43 99.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.455 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -160.87 138.3 6.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.623 0.725 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -171.9 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.718 2.278 . . . . 0.0 112.352 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.85 122.37 47.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -40.69 -54.38 2.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.8 mt -54.37 -73.5 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.6 m -39.32 -52.13 2.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 87.9 mmm -53.77 -62.29 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.2 t -50.32 -53.13 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 75.9 mtp -51.72 -62.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -46.92 -62.65 1.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.56 HD23 ' CH2' ' A' ' 37' ' ' TRP . 17.5 mt -45.57 -48.04 14.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.961 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 106' ' ' LEU . 19.1 m -34.86 -39.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -52.75 -51.81 59.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -61.64 -58.64 7.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.529 ' HA ' ' CZ3' ' A' ' 17' ' ' TRP . 3.2 t80 -45.32 -62.7 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.945 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -54.37 -19.23 5.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 9.9 tpp -78.32 -33.99 48.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -126.34 31.91 5.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -81.56 -30.36 33.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -81.9 -56.76 3.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.0 m -40.06 -48.18 2.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -57.63 158.03 14.27 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -179.54 2.98 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.356 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 30.1 p -128.29 -48.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.2 m -126.57 95.69 4.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.81 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.489 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -58.78 -59.69 5.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.878 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.8 p -87.41 -53.03 5.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.71 81.65 0.15 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -80.83 -57.02 3.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.894 0.378 . . . . 0.0 110.872 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 7' ' ' GLY . 20.0 m -73.31 -46.31 50.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.817 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.86 -105.22 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.46 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.9 p -95.48 81.74 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.849 0.356 . . . . 0.0 111.154 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.37 -65.05 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -146.16 171.78 14.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 m -80.74 86.19 5.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.1 t -56.49 137.19 53.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.05 -43.29 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.1 tp -58.72 -55.43 35.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.416 ' CD1' HD21 ' A' ' 33' ' ' LEU . 14.5 tp -39.56 -55.2 1.88 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.32 -60.82 3.92 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 37.7 t90 -37.53 -49.51 1.07 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.777 0.322 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.3 m -63.66 -43.55 96.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -58.26 -42.58 86.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -75.23 -44.33 46.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -63.82 -60.81 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 23' ' ' ASP . 79.8 p -53.92 -37.66 64.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 22' ' ' THR . 28.1 t70 -34.15 112.66 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.77 -35.13 1.81 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.436 ' HB3' ' CG2' ' A' ' 28' ' ' VAL . 44.7 m-85 -82.77 164.57 20.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.908 0.385 . . . . 0.0 110.885 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.7 122.39 33.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.13 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.406 ' O ' ' OD1' ' A' ' 29' ' ' ASN . . . 81.44 -34.36 2.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.523 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.473 ' O ' ' C ' ' A' ' 29' ' ' ASN . 91.6 t -48.81 -23.81 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.362 . . . . 0.0 111.153 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.473 ' C ' ' O ' ' A' ' 28' ' ' VAL . 8.2 p-10 -31.62 98.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.1 t -69.33 125.26 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 34.6 p -115.65 -39.38 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.18 -175.86 3.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.416 HD21 ' CD1' ' A' ' 15' ' ' LEU . 29.4 mt -126.56 29.38 5.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -133.83 -56.9 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.3 mtp -92.03 -35.22 14.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.8 p -44.03 -33.55 1.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.526 ' CE2' HD13 ' A' ' 106' ' ' LEU . 50.2 m95 -94.45 -36.26 11.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 37' ' ' TRP . 5.3 mtpm? -33.52 -38.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 37' ' ' TRP . 20.4 p -64.59 -60.52 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.41 -41.7 1.52 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.4 mt -40.18 -57.65 1.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.15 -67.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.413 HD13 ' CZ ' ' A' ' 109' ' ' PHE . 48.6 tp -45.24 -42.31 9.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 60.4 m -64.36 -41.96 96.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.61 -29.29 70.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.6 mm -64.18 -50.36 77.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.3 mt -68.93 -39.74 80.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.562 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 7.3 t-80 -66.35 -53.86 31.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.818 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 48' ' ' HIS . 21.3 tpp180 -33.34 -51.5 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' A' ' 113' ' ' PHE . 10.8 m-85 -86.79 -50.93 6.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -127.07 96.23 34.85 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.581 0.705 . . . . 0.0 110.851 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.562 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.72 -37.74 8.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.363 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.475 ' CG ' ' N ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -50.41 -50.88 50.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.475 ' N ' ' CG ' ' A' ' 53' ' ' ASP . 47.1 mt -48.44 -67.29 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.5 tt -112.4 134.46 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -100.6 106.93 18.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -71.83 -51.8 20.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.415 ' C ' ' OD1' ' A' ' 58' ' ' ASP . 20.1 t0 -47.01 -44.08 20.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 p -61.28 -43.84 98.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.819 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.39 159.68 12.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -129.48 126.1 37.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 63' ' ' GLN . 12.1 pt-20 -40.43 -45.62 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.402 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 16.1 mm-40 -48.01 -44.66 31.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.481 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 15.9 m-20 -73.01 111.57 8.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.2 t -93.94 -65.47 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -49.85 -54.53 18.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -44.71 -65.68 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 64' ' ' ASN . 6.4 m-80 -38.88 -42.36 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -72.53 -63.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -39.54 -46.23 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.9 tp -58.57 -69.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.78 -58.58 2.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -43.23 -34.63 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -84.61 -61.16 1.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 51.0 mm -46.65 -53.53 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -47.72 -67.41 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.405 ' HA ' ' N ' ' A' ' 82' ' ' ILE . 52.6 tt0 -53.21 -38.47 62.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -55.35 -55.67 28.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -99.39 -69.14 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 76' ' ' ALA . 32.2 mt -45.24 -40.74 7.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.27 26.34 28.53 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.405 ' N ' ' HA ' ' A' ' 77' ' ' GLU . 87.2 mt -105.96 99.82 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 111.085 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.9 t -55.22 132.96 69.27 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.697 0.761 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 143.46 50.79 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.657 2.238 . . . . 0.0 112.357 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.467 HG13 ' N ' ' A' ' 86' ' ' MET . 37.9 pt -84.67 -37.66 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.467 ' N ' HG13 ' A' ' 85' ' ' ILE . 71.1 mtm -135.68 166.17 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 32.4 p -95.44 148.02 22.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -43.2 -48.34 6.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.437 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -60.5 -47.05 87.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.744 0.307 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -62.5 -38.06 88.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.1 tpt -62.57 -42.94 99.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.17 -36.56 54.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.7 t -67.66 -47.24 70.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.6 p -57.52 141.22 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -72.16 -42.93 49.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -159.01 129.63 3.62 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.608 0.718 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -176.36 1.48 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.646 2.231 . . . . 0.0 112.33 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 99' ' ' LYS . 10.6 t0 -104.96 120.42 41.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 98' ' ' ASP . 4.0 tmtm? -37.94 -53.04 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.7 mt -56.1 -65.74 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.1 m -43.89 -51.37 7.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 89.6 mmm -55.24 -58.38 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 72.8 t -54.68 -61.4 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 38.1 mtt -43.97 -51.25 7.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.402 ' CD1' HG21 ' A' ' 85' ' ' ILE . 80.5 t80 -57.53 -66.39 0.47 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.526 HD13 ' CE2' ' A' ' 37' ' ' TRP . 26.6 mt -44.98 -51.17 10.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.956 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 106' ' ' LEU . 98.5 m -31.35 -44.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -49.29 -56.16 10.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.413 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 91.1 m-85 -54.28 -56.82 14.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.403 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 2.0 t80 -51.51 -61.2 2.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.403 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 18.3 mt-10 -51.42 -29.14 14.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 24.7 ttm -75.67 -46.36 31.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.548 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 32.9 m-85 -107.78 37.17 2.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 115' ' ' ASP . 47.1 pttt -82.38 -45.28 15.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.472 ' N ' ' HG3' ' A' ' 114' ' ' LYS . 0.6 OUTLIER -72.28 -46.32 56.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.853 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 115' ' ' ASP . 3.6 m -34.36 -39.87 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -103.2 141.94 15.36 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.449 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 1.67 4.23 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.727 2.285 . . . . 0.0 112.306 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.1 t -69.17 95.85 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.813 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.6 m -105.26 85.98 2.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.448 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -108.49 107.28 17.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.88 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 p -125.31 99.53 6.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.75 -169.39 23.55 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.456 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 m -121.21 42.37 3.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.9 0.381 . . . . 0.0 110.833 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.6 p -147.01 156.54 43.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.11 -152.95 17.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.5 t -64.18 150.36 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 111.128 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.05 95.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 11' ' ' SER . 18.6 ttp180 -112.58 150.48 31.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 10' ' ' ARG . 79.5 p -34.53 107.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 13' ' ' LYS . 2.4 t -41.02 137.62 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 12' ' ' SER . 41.7 mmtt -34.34 -39.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.4 tp -66.53 -57.01 8.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.948 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' GLY . 50.5 tp -44.1 -63.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -36.05 -59.62 0.92 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 52.5 t90 -46.0 -57.58 4.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.745 0.307 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.8 m -56.92 -39.85 75.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -58.24 -42.34 86.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -76.54 -45.23 31.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -62.88 -60.47 3.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.419 ' CG2' HD13 ' A' ' 46' ' ' ILE . 58.0 p -53.5 -36.84 62.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -41.09 133.56 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.807 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.22 -36.83 3.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.53 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.555 ' CD2' ' HB2' ' A' ' 45' ' ' ALA . 14.7 m-85 -59.1 -175.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.912 0.386 . . . . 0.0 110.928 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -109.35 122.47 47.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.95 34.82 80.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.469 ' O ' ' CG1' ' A' ' 28' ' ' VAL . 53.4 t -120.81 67.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 111.169 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -91.55 96.96 10.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.3 t -79.65 96.39 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.176 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.0 t -104.84 -29.84 10.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -115.27 -174.97 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.2 mt -128.88 16.67 6.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.88 -58.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.2 ptp -87.42 -27.44 22.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.4 t -56.68 -30.99 64.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.508 ' CE2' HD13 ' A' ' 106' ' ' LEU . 61.2 m95 -95.55 -29.19 14.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 37' ' ' TRP . 15.3 mtpt -36.53 -41.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.08 -44.55 91.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 37' ' ' TRP . . . 111.11 -43.66 1.67 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.505 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 42' ' ' ALA . 79.8 mt -38.1 -66.13 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.808 0.337 . . . . 0.0 110.895 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -37.12 -61.76 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.6 tp -48.51 -42.1 32.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 65.7 m -68.43 -37.0 79.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.555 ' HB2' ' CD2' ' A' ' 25' ' ' TYR . . . -66.05 -29.34 69.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.419 HD13 ' CG2' ' A' ' 22' ' ' THR . 49.2 mm -66.11 -62.27 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.458 HG12 ' CD1' ' A' ' 80' ' ' LEU . 53.3 mt -56.4 -47.31 81.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.551 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 29.4 t-80 -61.5 -47.21 86.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 48' ' ' HIS . 17.9 tpt180 -34.41 -55.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -89.34 -49.54 6.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -120.98 95.99 48.73 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.567 0.699 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.551 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.83 -37.99 8.26 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -51.19 -59.36 4.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 44.3 mt -38.82 -65.15 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.5 tt -114.25 128.52 71.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -94.97 105.65 17.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -75.86 -42.8 48.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -48.11 -47.28 34.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.6 t -65.56 -47.01 77.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.9 mt -54.32 148.06 12.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.469 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 9.6 m-20 -118.76 131.05 56.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.447 ' HG2' ' N ' ' A' ' 63' ' ' GLN . 1.1 pm0 -44.58 -40.72 5.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.447 ' N ' ' HG2' ' A' ' 62' ' ' GLU . 5.5 mm-40 -55.47 -46.43 76.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.469 ' ND2' ' HB2' ' A' ' 61' ' ' ASP . 21.6 m-20 -66.45 116.21 7.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 77.6 t -102.04 -62.14 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -52.97 -41.61 64.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -60.07 -65.74 0.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 64' ' ' ASN . 9.0 m-80 -38.73 -40.05 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -74.43 -64.0 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -41.33 -42.55 2.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 48.3 tp -64.8 -67.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.951 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.71 -55.96 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -46.01 -39.67 9.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -79.27 -64.41 1.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.825 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.9 mm -43.82 -54.35 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -42.56 -67.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.05 -38.61 73.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt -54.27 -50.11 68.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -104.42 -65.01 1.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.508 ' N ' ' O ' ' A' ' 76' ' ' ALA . 28.2 mt -51.54 -42.6 61.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 103.24 -18.88 47.59 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 71.2 mt -63.33 103.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 111.145 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.9 t -64.41 131.37 95.04 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.632 0.73 . . . . 0.0 110.841 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 127.08 14.11 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.258 . . . . 0.0 112.327 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.514 HG21 ' CD1' ' A' ' 105' ' ' TYR . 42.5 pt -63.0 -33.1 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.403 ' N ' HG13 ' A' ' 85' ' ' ILE . 5.6 ptp -146.54 170.14 17.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 49.8 p -92.62 145.21 24.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -38.55 -44.05 1.69 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.455 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.414 ' HD2' ' C ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -56.57 -51.95 66.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.704 0.288 . . . . 0.0 110.874 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -58.13 -37.04 73.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.3 tpt -67.58 -34.85 77.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.23 -39.98 38.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.7 p -68.83 -53.68 20.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.9 p -50.73 134.65 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.148 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.05 -35.95 91.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -167.33 132.53 1.64 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 110.921 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 178.51 4.5 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.36 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 99' ' ' LYS . 22.5 t70 -101.28 117.33 34.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.803 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -34.26 -52.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.5 mt -52.05 -64.27 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.1 p -47.22 -54.77 9.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 85.1 mmm -51.89 -55.76 18.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 84.2 t -56.52 -63.22 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 21.7 mtm -44.9 -52.65 8.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.514 ' CD1' HG21 ' A' ' 85' ' ' ILE . 82.2 t80 -59.57 -62.96 1.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.508 HD13 ' CE2' ' A' ' 37' ' ' TRP . 49.6 mt -44.03 -45.39 7.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 92.3 m -39.16 -48.29 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -44.96 -43.42 9.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -67.71 -50.52 57.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.408 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 2.0 t80 -55.46 -61.81 2.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.408 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 11.4 mm-40 -49.11 -28.25 4.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.3 ttm -68.18 -48.59 64.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -114.97 36.12 4.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 115' ' ' ASP . 4.0 ptmm? -80.97 -41.28 23.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.456 ' N ' ' HG3' ' A' ' 114' ' ' LYS . 4.4 m-20 -65.74 -42.56 90.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 115' ' ' ASP . 95.8 p -34.5 -44.53 0.2 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -57.25 146.03 37.33 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 2.81 3.2 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.657 2.238 . . . . 0.0 112.349 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.0 t -121.56 107.27 12.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.7 t -100.33 139.31 36.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.497 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.8 p -122.77 127.99 49.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 110.837 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 m -106.35 129.01 54.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.36 71.77 1.03 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.449 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -96.21 135.75 37.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 t 46.74 41.53 10.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.74 -144.47 17.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.494 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.7 m -103.8 42.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.856 0.36 . . . . 0.0 111.123 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.68 110.49 16.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -128.07 161.25 29.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 89.5 p -96.03 128.54 43.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 13' ' ' LYS . 7.9 t -101.44 137.49 39.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 12' ' ' SER . 14.6 mtpt -37.07 -50.7 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 tp -62.51 -51.61 66.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 16' ' ' GLY . 47.6 tp -42.0 -62.69 0.87 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -34.7 -56.37 0.79 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.506 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 52.3 t90 -46.24 -55.09 7.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.754 0.312 . . . . 0.0 110.957 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.7 m -58.74 -47.58 84.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -57.84 -21.08 40.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -93.1 -45.17 8.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -71.23 -54.34 11.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.1 p -60.93 -12.61 11.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -59.17 122.65 14.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.93 -37.35 2.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.525 ' CD2' ' HB1' ' A' ' 45' ' ' ALA . 38.8 m-85 -65.03 167.83 7.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.932 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -110.14 133.22 53.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.084 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.23 -31.79 4.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 29' ' ' ASN . 49.6 t -60.21 -69.24 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.819 0.343 . . . . 0.0 111.118 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 28' ' ' VAL . 6.2 p-10 35.82 52.03 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.2 t -40.39 114.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.8 t -123.92 5.43 8.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -162.62 179.05 8.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.8 mt -118.09 22.55 12.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.9 p -128.25 -74.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.3 mtp -74.05 -42.59 60.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 m -44.35 -29.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.498 ' CZ3' HD21 ' A' ' 106' ' ' LEU . 61.0 m95 -98.95 -33.81 10.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 37' ' ' TRP . 5.0 mtpm? -35.3 -53.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.1 t -49.12 -47.69 45.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' TRP . . . 114.52 -37.14 3.65 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.487 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.488 HD23 ' CE1' ' A' ' 57' ' ' PHE . 85.3 mt -45.25 -45.37 11.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.12 -65.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.5 tp -50.97 -47.71 61.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.3 m -57.75 -38.89 76.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.525 ' HB1' ' CD2' ' A' ' 25' ' ' TYR . . . -67.36 -17.63 64.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.8 mm -80.14 -40.33 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 66.2 mt -74.53 -40.83 48.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -71.57 -45.31 62.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -38.1 -46.68 1.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -93.97 -50.95 5.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 mtt85 -123.05 94.96 46.64 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.579 0.704 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 55' ' ' ILE . 53.1 Cg_endo -69.75 -18.45 37.07 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.312 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.487 ' CG ' ' N ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -68.95 -51.59 38.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.487 ' N ' ' CG ' ' A' ' 53' ' ' ASP . 12.8 mt -48.02 -60.99 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.4 ' O ' ' O ' ' A' ' 52' ' ' PRO . 5.1 tt -115.91 151.35 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -117.0 107.03 14.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.488 ' CE1' HD23 ' A' ' 41' ' ' LEU . 50.4 t80 -74.63 -48.93 23.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -44.42 -39.91 5.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.6 t -73.08 -46.29 52.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.9 mt -56.15 163.1 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -133.83 156.05 48.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -66.95 -43.71 82.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -52.55 -44.62 65.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -68.38 115.21 7.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.1 t -104.75 -64.92 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 89' ' ' LYS . 22.9 tt0 -53.06 -45.06 67.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -56.15 -66.09 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -38.36 -45.17 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -68.22 -62.02 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -40.95 -40.04 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.3 tp -65.59 -65.27 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.52 -51.81 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -52.31 -28.59 19.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -87.97 -58.55 2.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.8 mm -53.01 -51.51 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -47.78 -68.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -55.99 -33.78 65.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -59.42 -48.46 81.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -106.95 -63.72 1.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 76' ' ' ALA . 30.2 mt -52.72 -35.7 56.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.19 -8.06 80.69 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.542 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 94.8 mt -68.1 109.05 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.342 . . . . 0.0 111.143 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t -63.97 132.71 95.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.65 0.738 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 152.03 69.2 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.565 HG21 ' CD1' ' A' ' 105' ' ' TYR . 30.8 pt -95.7 -21.89 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.0 ptp -162.46 160.82 26.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 90' ' ' GLU . 29.6 p -87.01 143.26 27.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.51 -44.33 0.86 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 15.3 tttt -62.53 -45.26 93.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.74 0.305 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 87' ' ' THR . 9.1 mm-40 -65.79 -17.05 64.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.4 tpp -91.14 -29.01 17.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.98 -5.22 51.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.2 m -108.03 -38.7 5.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.801 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.4 p -52.88 -15.43 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.71 -38.89 2.34 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -166.27 130.92 1.74 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.669 0.747 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.401 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 53.5 Cg_endo -69.79 -172.09 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.731 2.287 . . . . 0.0 112.331 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -118.23 125.84 50.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -40.93 -51.49 3.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.5 mt -54.95 -72.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 t -41.83 -51.93 4.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.401 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 89.0 mmm -53.83 -65.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 85.7 t -47.59 -61.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 9.3 mtt -49.25 -69.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.565 ' CD1' HG21 ' A' ' 85' ' ' ILE . 62.7 t80 -39.54 -50.88 2.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.498 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 58.9 mt -57.7 -49.28 77.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 106' ' ' LEU . 93.3 m -36.71 -35.31 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -56.87 -49.11 76.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -64.69 -43.53 93.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.449 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 3.1 t80 -60.87 -67.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.449 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 36.2 mt-10 -44.5 -30.74 0.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 29.0 tpp -73.97 -37.48 64.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 110' ' ' TYR . 28.0 m-85 -109.72 23.12 14.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -73.43 -41.06 63.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.82 -58.26 4.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.4 m -51.93 131.17 30.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 78.16 -157.57 44.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 112.14 3.0 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 85.3 p -112.82 176.54 4.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.5 t -98.66 -51.11 4.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.486 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 m -142.06 122.02 13.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 110.813 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.3 p -44.09 143.34 1.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.69 125.02 1.26 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.6 t -162.16 139.13 8.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.836 0.35 . . . . 0.0 110.886 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -129.14 162.67 27.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.45 172.39 15.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.4 m -103.47 57.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 111.149 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -128.79 -46.59 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.8 ttt-85 -90.3 -50.73 5.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.2 p -67.36 103.95 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.2 p -51.48 145.6 8.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.33 -45.35 17.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.1 tp -64.49 -54.17 36.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.8 tp -41.69 -56.03 2.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.52 -52.56 6.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.45 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 50.6 t90 -51.35 -52.9 41.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.727 0.299 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.5 ' O ' ' CG2' ' A' ' 22' ' ' THR . 63.6 m -59.42 -43.51 93.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -59.97 -48.51 81.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 20' ' ' ARG . 5.8 mmm180 -65.9 -50.74 63.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -61.73 -61.57 2.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 45.2 p -49.28 -43.28 43.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -40.23 110.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.04 -27.51 2.78 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -72.53 -179.88 3.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.905 0.383 . . . . 0.0 110.913 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.24 133.99 47.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 51.73 30.46 28.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.1 t -120.87 76.55 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 111.109 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -102.15 99.78 9.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.1 t -83.06 92.62 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 t -104.84 12.22 32.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -166.99 -175.03 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.6 mt -125.89 31.09 5.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.2 p -133.74 -74.46 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.2 ptm -81.5 -22.04 38.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.3 m -59.92 -24.92 64.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.473 ' CZ3' HD23 ' A' ' 106' ' ' LEU . 36.6 m95 -106.94 -28.24 10.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 37' ' ' TRP . 7.7 mtpm? -36.47 -47.69 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.9 t -49.43 -53.76 21.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.51 -29.7 6.02 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 42' ' ' ALA . 89.1 mt -55.06 -63.7 1.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.797 0.332 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -36.54 -62.53 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.6 tp -46.96 -42.46 17.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 71.4 m -70.98 -30.47 66.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.75 -22.14 63.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.8 mm -74.0 -62.33 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 81.5 mt -54.64 -42.16 59.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 45.2 t-80 -68.35 -47.42 67.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' HIS . 19.1 tpt85 -37.0 -50.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -88.69 -52.83 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -121.27 95.74 48.39 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.648 0.737 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.79 -11.94 31.82 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -73.18 -55.57 6.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.3 mt -44.21 -58.73 2.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.6 tt -122.0 142.75 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -109.36 105.96 15.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -74.33 -44.9 50.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -48.27 -39.31 21.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.4 t -74.4 -43.96 54.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.9 mt -57.38 158.93 5.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.415 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 1.8 m-20 -127.59 150.92 49.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -67.11 -38.49 85.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -55.71 -26.19 43.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.415 ' ND2' ' HB2' ' A' ' 61' ' ' ASP . 31.5 m-20 -89.98 115.24 27.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 96.5 t -102.21 -67.46 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -48.31 -35.67 12.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 68' ' ' ASN . 38.4 tptt -65.7 -71.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 67' ' ' LYS . 8.7 m-80 -35.42 -38.09 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -75.18 -62.19 1.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.415 ' C ' ' CD ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -45.11 -49.54 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.6 tp -52.27 -67.22 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.66 -54.8 3.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -47.91 -33.17 7.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -86.42 -59.93 2.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 30.4 mm -47.66 -52.77 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -43.17 -72.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -53.19 -45.45 68.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -44.55 -57.57 3.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -98.91 -63.76 1.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 76' ' ' ALA . 19.6 mt -52.47 -53.51 44.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 109.68 -9.31 32.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.447 HG22 ' CB ' ' A' ' 108' ' ' GLN . 97.4 mt -70.35 110.94 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 111.197 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t -66.96 131.92 93.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.654 0.74 . . . . 0.0 110.837 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 157.04 61.64 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.548 HG22 ' CD1' ' A' ' 105' ' ' TYR . 18.0 pt -99.08 -32.92 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.072 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.458 ' SD ' ' CG1' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -134.22 173.72 11.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 90' ' ' GLU . 1.3 p -112.54 145.13 40.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -35.89 -45.15 0.79 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.497 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.4 tptp -63.07 -43.39 98.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.713 0.292 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 87' ' ' THR . 28.6 mm-40 -69.36 -16.14 63.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.5 ttt -92.28 -26.13 18.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -86.81 -27.23 23.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.059 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.3 m -86.39 -51.22 6.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.4 p -52.08 136.24 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.52 -40.49 90.96 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.412 ' CG ' ' HD2' ' A' ' 97' ' ' PRO . 25.4 tt0 -159.8 137.65 7.28 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.619 0.723 . . . . 0.0 110.894 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.469 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 53.7 Cg_endo -69.73 169.23 19.36 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -93.87 121.19 35.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -39.29 -52.6 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 82.5 mt -53.72 -73.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 t -39.29 -51.91 2.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.469 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 88.5 mmm -53.77 -64.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.2 t -52.3 -61.78 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 40.1 mtp -47.61 -44.51 26.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.548 ' CD1' HG22 ' A' ' 85' ' ' ILE . 34.6 t80 -64.67 -66.67 0.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.473 HD23 ' CZ3' ' A' ' 37' ' ' TRP . 49.1 mt -43.01 -43.72 4.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 98.7 m -40.59 -41.84 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.447 ' CB ' HG22 ' A' ' 82' ' ' ILE . 62.2 mt-30 -50.84 -43.18 59.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -69.36 -46.59 66.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.489 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 2.1 t80 -58.21 -65.61 0.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.489 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 16.3 mm-40 -43.09 -34.62 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 60.2 ttm -75.08 -43.25 54.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.45 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 22.8 m-85 -105.06 34.73 3.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -89.04 -35.48 16.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.422 ' CG ' ' N ' ' A' ' 116' ' ' SER . 1.6 p-10 -82.76 -49.11 10.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.422 ' N ' ' CG ' ' A' ' 115' ' ' ASP . 38.8 t -39.59 139.96 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 98.96 -121.34 7.17 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.48 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 115.82 4.28 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 87.6 p -62.19 127.67 32.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 27.3 p -79.78 144.32 33.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.842 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -138.25 151.64 47.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.831 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.4 t -165.74 140.79 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.14 117.84 0.8 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -98.85 174.07 6.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.884 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -101.28 98.96 9.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.32 -115.98 0.66 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.453 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.5 m -85.66 155.29 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.812 0.339 . . . . 0.0 111.127 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -155.73 158.12 37.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.065 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.6 mtt85 -120.92 174.87 6.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.8 m 50.01 53.44 12.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.848 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 t -50.53 147.61 4.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -45.93 -43.17 13.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.8 tp -67.3 -55.2 14.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.1 tp -40.79 -50.66 3.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.58 -50.07 14.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.457 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.461 ' CZ2' ' HG3' ' A' ' 21' ' ' GLN . 62.6 t90 -55.15 -43.42 74.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.745 0.307 . . . . 0.0 110.929 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 66.1 m -64.33 -39.91 94.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -66.09 -29.75 70.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -85.25 -40.63 16.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.461 ' HG3' ' CZ2' ' A' ' 17' ' ' TRP . 34.6 mm-40 -72.46 -50.04 29.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.4 p -72.73 2.98 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -69.7 122.48 19.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.13 -37.66 2.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.507 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 32.9 m-85 -60.49 175.94 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.378 . . . . 0.0 110.931 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.82 130.29 55.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.64 -32.51 4.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.461 ' CG1' HG21 ' A' ' 30' ' ' VAL . 98.9 t -61.86 -69.1 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 111.15 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 28' ' ' VAL . 44.2 t30 34.83 52.66 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.461 HG21 ' CG1' ' A' ' 28' ' ' VAL . 42.9 t -38.85 126.78 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.5 -38.02 1.36 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -105.24 -175.83 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.7 mt -124.35 4.97 8.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.5 p -119.24 -75.31 0.58 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.522 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 73.4 mtp -71.2 -28.43 64.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.0 t -47.37 -24.06 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.561 ' CH2' HD21 ' A' ' 106' ' ' LEU . 4.8 m95 -112.69 -13.06 13.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.522 ' CG ' ' HA ' ' A' ' 35' ' ' MET . 7.6 mmmt -47.37 -31.84 4.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.7 p -78.99 -32.08 45.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.65 -36.24 4.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.527 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.7 mt -41.67 -49.22 4.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 110.949 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.77 -64.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.3 tp -50.06 -40.87 46.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 68' ' ' ASN . 88.0 m -68.51 -35.99 78.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.507 ' HB1' ' CE2' ' A' ' 25' ' ' TYR . . . -68.25 -31.39 70.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.064 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.09 -58.5 7.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.2 mt -57.4 -44.57 84.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.427 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 11.6 t-80 -62.29 -51.25 68.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.442 ' N ' ' OH ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -36.37 -62.44 0.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -75.95 -46.97 27.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -128.45 94.7 34.85 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.427 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.81 -24.62 29.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.326 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -45.42 88.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 29.6 mt -52.51 -59.01 4.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.9 tt -125.44 140.76 47.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -102.6 123.04 45.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -88.6 -38.22 15.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.51 -31.99 69.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 m -77.2 -42.73 36.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.4 mt -57.79 175.48 0.19 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -154.04 133.89 13.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -45.87 -40.2 9.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -49.17 -47.83 45.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.403 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 1.0 OUTLIER -76.32 110.82 11.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 70.5 t -101.11 -51.91 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -63.38 -27.07 69.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 68' ' ' ASN . 41.2 tttt -74.53 -68.49 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 67' ' ' LYS . 5.8 m-80 -34.81 -41.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -74.29 -63.54 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -41.34 -42.56 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.3 tp -61.71 -66.5 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.14 -56.29 4.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -43.96 -27.16 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -93.98 -58.42 2.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.9 mm -49.57 -49.99 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -47.46 -74.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.074 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.56 -44.84 62.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -44.33 -56.33 4.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -101.49 -63.2 1.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 76' ' ' ALA . 29.2 mt -51.44 -51.88 51.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 109.46 -3.2 30.95 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.522 HD12 ' CZ ' ' A' ' 109' ' ' PHE . 70.6 mt -74.21 104.92 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 111.157 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t -63.1 130.26 94.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.61 0.719 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 137.81 36.49 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.718 2.278 . . . . 0.0 112.355 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.8 pt -80.22 -26.99 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.153 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.6 ptp -152.81 171.98 17.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.0 p -97.73 145.32 26.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -38.26 -44.36 1.6 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -59.88 4.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.741 0.305 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -52.95 -21.23 4.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.3 tpt -83.7 -28.06 28.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.35 -35.11 23.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.123 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.4 p -71.93 -38.15 69.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.6 p -67.52 153.37 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.128 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.26 -28.11 37.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.486 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -175.19 137.17 0.55 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 165.6 30.38 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.342 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -87.62 130.43 34.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -44.33 -62.65 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 85.1 mt -45.03 -67.04 0.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.6 p -43.26 -54.66 4.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 93.4 mmm -53.62 -64.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 76.6 t -43.7 -55.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.154 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 56.8 mtp -55.12 -69.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -41.87 -57.27 2.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.561 HD21 ' CH2' ' A' ' 37' ' ' TRP . 39.6 mt -52.63 -54.76 28.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 106' ' ' LEU . 96.7 m -33.9 -43.89 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.441 ' NE2' HG23 ' A' ' 82' ' ' ILE . 39.1 mt-30 -47.53 -49.28 26.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.522 ' CZ ' HD12 ' A' ' 82' ' ' ILE . 65.8 m-85 -62.07 -36.35 81.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 114' ' ' LYS . 1.2 t80 -68.31 -56.07 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.415 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 45.6 mt-10 -58.59 -18.18 27.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 5.7 tpp -88.27 -24.09 23.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.402 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 25.0 m-85 -124.09 18.45 9.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 110' ' ' TYR . 14.1 ptmt -74.94 -40.13 60.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 116' ' ' SER . 1.6 p-10 -73.6 -46.71 45.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 115' ' ' ASP . 2.2 t -36.08 135.57 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 118.87 144.91 7.57 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -3.92 13.0 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.719 2.279 . . . . 0.0 112.374 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.1 p -137.29 178.76 6.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.6 t -147.3 146.44 29.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -69.53 125.69 27.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.859 0.361 . . . . 0.0 110.862 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -82.67 -61.1 1.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.34 -164.43 24.26 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.3 t -66.22 -51.39 58.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.375 . . . . 0.0 110.846 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -141.15 132.02 25.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.66 137.68 2.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.527 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.1 t -75.53 86.88 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.861 0.362 . . . . 0.0 111.136 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.48 155.91 31.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -71.87 174.85 6.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 63.0 m -42.18 131.94 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 13' ' ' LYS . 34.4 t -103.28 140.33 37.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.815 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 12' ' ' SER . 7.8 mtmp? -36.78 -42.74 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.0 tp -63.91 -58.26 7.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' GLY . 25.4 tp -37.59 -62.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -37.85 -63.32 0.89 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 71.7 t90 -40.78 -48.2 2.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.748 0.308 . . . . 0.0 110.908 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.459 ' O ' ' CG2' ' A' ' 22' ' ' THR . 38.1 m -63.68 -39.5 94.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -64.28 -49.12 73.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.8 mmt-85 -68.25 -45.29 73.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -63.42 -51.79 64.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.459 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 44.4 p -67.09 -4.46 10.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.106 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -67.54 122.06 17.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.57 -23.31 6.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.494 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -73.14 171.2 13.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 0.0 110.915 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.11 118.01 35.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.116 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.26 19.21 79.77 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.442 ' O ' ' CG1' ' A' ' 28' ' ' VAL . 95.1 t -115.9 60.93 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.888 0.375 . . . . 0.0 111.147 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.418 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 2.4 t30 -89.34 79.86 6.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.0 112.4 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.0 t -126.66 -6.7 6.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.174 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -127.69 177.23 6.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.2 mt -120.61 11.26 11.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.6 p -132.46 -70.89 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.439 ' O ' ' N ' ' A' ' 38' ' ' LYS . 26.4 mtm -66.48 -44.45 82.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 t -45.67 -22.33 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.533 ' CZ3' HD21 ' A' ' 106' ' ' LEU . 53.0 m95 -105.23 -20.73 13.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.948 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 35' ' ' MET . 8.4 mtpm? -52.84 -42.56 65.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.4 p -59.42 -34.4 72.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.77 -43.22 1.72 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.491 HD21 ' CE1' ' A' ' 57' ' ' PHE . 91.3 mt -39.18 -68.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.814 0.34 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -34.14 -67.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.8 tp -43.97 -43.27 6.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.3 m -65.54 -37.71 87.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.38 -17.56 64.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.1 mm -79.24 -49.4 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.3 mt -67.84 -44.41 85.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.54 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 16.0 t-80 -63.5 -46.46 85.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' HIS . 21.7 tpt180 -35.64 -54.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.545 ' CE2' ' HB3' ' A' ' 113' ' ' PHE . 10.8 m-85 -86.51 -51.39 6.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.7 mtt85 -123.39 97.66 42.25 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.572 0.701 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.54 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.77 -14.33 35.9 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.644 2.229 . . . . 0.0 112.329 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -73.02 -59.56 2.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.6 mt -38.28 -53.29 1.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.9 tt -123.66 135.38 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -101.84 93.42 5.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.491 ' CE1' HD21 ' A' ' 41' ' ' LEU . 54.7 t80 -64.55 -54.12 37.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -43.17 -33.2 0.86 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 m -78.39 -47.21 18.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.7 mt -53.01 152.77 3.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -126.49 129.37 48.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -42.26 -37.76 1.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -61.7 -42.94 99.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -72.2 70.25 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 57.8 t -54.53 -75.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -39.62 -58.08 1.37 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -40.85 -63.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -42.24 -29.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 70' ' ' GLN . 69.4 m-80 -90.25 -66.54 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 69' ' ' ASN . 49.5 tp60 -37.88 -39.08 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.0 tp -65.45 -67.14 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.96 -48.57 32.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -51.75 -27.36 11.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -93.31 -60.02 1.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.7 mm -48.65 -49.07 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.192 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -50.74 -68.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -53.56 -38.22 63.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -55.79 -47.31 77.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -108.0 -67.54 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 76' ' ' ALA . 56.6 mt -47.7 -39.16 16.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 91.87 7.5 64.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.448 HD13 ' CB ' ' A' ' 108' ' ' GLN . 76.5 mt -87.03 103.87 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.907 0.385 . . . . 0.0 111.153 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t -59.88 133.18 89.55 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.652 0.739 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 138.01 36.82 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.315 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.44 HG21 ' CD1' ' A' ' 105' ' ' TYR . 35.9 pt -80.51 -29.19 11.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.8 ptp -153.73 166.5 32.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 31.1 p -89.81 154.84 19.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -47.61 -48.11 23.06 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.44 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.64 -58.58 7.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.722 0.296 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -50.37 -36.29 31.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 19.5 tpp -66.26 -36.14 82.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.72 -38.67 53.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.0 m -68.01 -52.88 30.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.3 p -52.97 142.05 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.124 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -77.7 -24.27 65.29 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.514 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -169.03 126.9 0.86 Allowed Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.622 0.725 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.423 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 53.7 Cg_endo -69.75 144.21 53.35 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.688 2.258 . . . . 0.0 112.339 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 99' ' ' LYS . 10.9 t70 -58.3 109.39 0.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.815 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -34.42 -67.74 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 67.5 mt -40.55 -55.65 2.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.9 m -55.77 -41.32 73.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.48 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -62.55 -62.05 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.1 t -53.3 -51.21 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.5 mtt -56.55 -68.47 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.44 ' CD1' HG21 ' A' ' 85' ' ' ILE . 64.9 t80 -41.74 -48.18 4.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.533 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 81.6 mt -59.49 -51.0 71.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 106' ' ' LEU . 95.6 m -35.46 -50.58 0.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.448 ' CB ' HD13 ' A' ' 82' ' ' ILE . 47.4 mt-30 -41.17 -46.8 3.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -63.99 -61.49 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.439 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 1.1 t80 -46.08 -58.47 3.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.945 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.439 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 75.5 mt-10 -51.27 -23.41 3.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 1.4 tpt -78.23 -41.58 33.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.545 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 19.4 m-85 -115.61 35.95 4.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 13.6 pttm -82.65 -36.31 26.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -74.69 -54.64 7.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.2 m -42.07 -32.72 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -82.85 161.3 39.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -30.14 23.1 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.76 2.307 . . . . 0.0 112.327 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 65.8 m -86.63 151.07 23.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.0 t -145.99 161.91 39.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.452 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.92 0.391 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -49.25 -50.62 37.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.61 HD21 ' HB2' ' A' ' 106' ' ' LEU . 45.7 tp -57.34 -51.54 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.57 ' HB2' HD11 ' A' ' 33' ' ' LEU . 33.3 tp -45.85 -61.34 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -37.5 -58.9 1.34 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.507 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 67.1 t90 -44.81 -54.74 6.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.727 0.298 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.498 ' O ' HG23 ' A' ' 22' ' ' THR . 61.7 m -59.43 -37.41 78.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -63.09 -29.47 70.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 20' ' ' ARG . 14.3 mtp-105 -88.8 -40.58 13.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -70.48 -53.79 14.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 18' ' ' CYS . 36.6 p -60.74 -20.91 62.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -50.37 129.1 21.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.93 -38.28 2.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.491 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.44 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 32.6 m-85 -61.09 -179.64 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.875 0.369 . . . . 0.0 110.912 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -120.66 127.69 52.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.87 -33.24 4.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.494 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.485 HG12 HG23 ' A' ' 30' ' ' VAL . 96.5 t -49.88 -68.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 111.094 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.708 ' O ' HG23 ' A' ' 31' ' ' THR . 9.0 t30 34.9 53.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.485 HG23 HG12 ' A' ' 28' ' ' VAL . 71.6 t -38.16 113.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 29' ' ' ASN . 70.0 p -112.88 -25.24 9.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -147.03 167.22 24.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' A' ' 15' ' ' LEU . 24.0 mt -106.2 35.42 2.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 p -134.45 -74.87 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.411 ' O ' ' N ' ' A' ' 38' ' ' LYS . 6.1 mtt -76.51 -50.97 12.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 t -40.06 -30.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.556 ' CD1' ' HA ' ' A' ' 33' ' ' LEU . 74.9 m95 -92.25 -36.53 13.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 35' ' ' MET . 4.2 mtmp? -39.97 -39.74 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.475 ' HA ' HG13 ' A' ' 65' ' ' VAL . 2.3 t -58.0 -43.48 86.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.49 -41.16 2.31 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.511 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.512 HD23 ' OD1' ' A' ' 68' ' ' ASN . 85.8 mt -41.63 -51.86 3.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.795 0.331 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.64 -64.96 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.64 HD11 ' CE2' ' A' ' 109' ' ' PHE . 15.4 tp -47.03 -46.38 21.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 60.8 m -60.88 -39.67 90.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.44 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -65.1 -16.9 63.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.1 mm -79.29 -54.82 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.0 mt -62.42 -45.12 99.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' ARG . 31.2 t-80 -62.25 -47.09 85.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 48' ' ' HIS . 24.2 tpt180 -36.48 -52.75 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 113' ' ' PHE . 5.4 m-85 -89.51 -52.2 5.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -119.62 94.61 48.63 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -23.88 30.1 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.639 2.226 . . . . 0.0 112.365 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.43 -59.0 5.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.1 mt -43.07 -56.91 3.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.8 tt -122.02 136.03 60.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -107.8 102.99 12.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -71.27 -49.16 45.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -43.31 -41.07 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.4 t -73.14 -49.41 28.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.8 mt -49.05 145.99 3.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -110.26 134.27 52.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 62' ' ' GLU . 1.6 pm0 -58.81 -11.86 3.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -77.75 -40.61 40.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -74.94 114.0 12.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.475 HG13 ' HA ' ' A' ' 39' ' ' SER . 99.3 t -96.67 -44.66 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -70.4 -35.8 73.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -65.25 -61.55 2.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.512 ' OD1' HD23 ' A' ' 41' ' ' LEU . 2.9 m-80 -40.93 -40.41 1.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -77.02 -62.21 1.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -41.35 -39.52 1.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.2 tp -63.23 -68.05 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.48 -53.43 6.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -48.69 -29.08 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -89.69 -58.83 2.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.2 mm -50.79 -52.6 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -45.03 -71.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -53.74 -42.8 68.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -47.1 -57.36 5.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -99.39 -62.44 1.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 76' ' ' ALA . 20.1 mt -53.58 -58.33 7.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 113.26 -3.61 25.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.728 HG23 ' CD ' ' A' ' 108' ' ' GLN . 50.9 mt -71.38 99.93 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.848 0.356 . . . . 0.0 111.128 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.5 t -58.52 134.26 85.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.666 0.746 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 141.01 44.16 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.297 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.2 pt -88.39 -27.27 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.8 ptp -149.49 152.25 35.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 46.0 p -76.95 158.19 30.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.152 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -56.59 -44.62 90.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -63.32 -36.74 84.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.743 0.306 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -73.15 -22.33 60.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.0 ttt -94.0 -18.94 21.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.87 -18.08 24.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.7 m -95.19 -46.88 6.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.9 p -48.56 139.94 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.78 -33.11 83.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -170.55 136.66 1.19 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.633 0.73 . . . . 0.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.432 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 54.2 Cg_endo -69.71 -174.72 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.698 2.265 . . . . 0.0 112.393 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 99' ' ' LYS . 24.8 t0 -107.5 116.91 32.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.851 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 98' ' ' ASP . 9.0 tmtt? -34.07 -60.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 52.3 mt -50.77 -72.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.7 m -38.63 -54.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.812 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.432 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 93.6 mmm -50.35 -65.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.9 t -48.65 -61.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 45.0 mtm -43.85 -51.8 7.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -60.63 -61.9 2.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.936 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.61 ' HB2' HD21 ' A' ' 14' ' ' LEU . 46.8 mt -43.14 -49.93 6.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 106' ' ' LEU . 6.7 m -35.31 -53.9 0.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.181 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.728 ' CD ' HG23 ' A' ' 82' ' ' ILE . 50.3 mt-30 -37.1 -49.69 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.64 ' CE2' HD11 ' A' ' 43' ' ' LEU . 56.9 m-85 -60.82 -55.01 38.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.527 ' CD1' ' N ' ' A' ' 111' ' ' GLU . 0.6 OUTLIER -52.99 -57.25 10.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.952 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.527 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 62.9 mm-40 -47.79 -22.24 0.51 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 26.9 tpp -92.4 -29.9 16.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.507 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 24.3 m-85 -113.84 23.88 12.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 110' ' ' TYR . 5.8 ptmm? . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 13' ' ' LYS . 16.1 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.955 0.407 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 12' ' ' SER . 12.0 ttmt -36.53 -42.99 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.424 HD21 ' CB ' ' A' ' 106' ' ' LEU . 12.6 tp -73.82 -53.42 10.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.0 tp -42.3 -53.59 4.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.48 -51.95 6.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.512 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 27.7 t90 -51.02 -55.97 14.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.746 0.308 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.436 ' O ' HG23 ' A' ' 22' ' ' THR . 72.8 m -56.36 -44.07 79.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -56.29 -46.61 79.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -69.45 -47.55 63.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -63.77 -65.09 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 18' ' ' CYS . 63.6 p -46.05 -38.42 7.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -43.38 128.24 4.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.25 -36.09 3.66 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -62.77 -176.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.968 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.51 119.28 36.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.0 32.13 69.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.524 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.3 t -124.27 80.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 111.111 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -105.47 113.53 27.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.5 t -100.79 106.65 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.2 p -103.09 -31.53 10.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -134.55 -176.12 4.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.551 HD12 ' HE3' ' A' ' 99' ' ' LYS . 15.0 mt -120.11 42.1 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.425 ' O ' ' CG ' ' A' ' 97' ' ' PRO . 19.9 p -134.73 -55.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.8 mtt -100.03 -33.77 10.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.2 m -43.33 -24.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.431 ' O ' ' C ' ' A' ' 38' ' ' LYS . 39.9 m95 -104.72 -33.14 8.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 37' ' ' TRP . 6.7 mtpm? -35.81 -39.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.3 p -58.91 -59.35 5.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.83 -39.86 1.84 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.533 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.502 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 25.5 mt -49.3 -63.68 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -35.92 -62.77 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.8 tp -51.56 -37.07 47.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' LEU . 69.2 m -72.02 -33.13 67.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.8 -19.85 64.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.2 mm -73.91 -59.88 2.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.439 HG12 HD11 ' A' ' 80' ' ' LEU . 21.0 mt -57.43 -43.37 82.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 9.1 t-80 -66.37 -50.11 64.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 48' ' ' HIS . 22.6 tpt180 -34.35 -48.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -93.78 -50.19 5.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -123.69 95.72 44.28 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.569 0.699 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.578 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.81 -18.63 36.64 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -69.12 -62.18 1.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.3 mt -38.7 -54.61 1.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.1 tt -121.07 134.84 63.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -102.99 95.38 6.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.502 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 27.8 t80 -66.04 -47.55 74.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -47.14 -46.2 23.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.6 t -66.92 -42.59 85.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.578 HD21 HD22 ' A' ' 71' ' ' LEU . 82.3 mt -56.81 164.29 1.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.485 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 7.9 t0 -139.65 132.6 29.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.43 -29.87 11.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -58.8 -48.59 80.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -72.07 73.14 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 95.1 t -58.95 -56.1 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -57.59 -50.16 74.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 69' ' ' ASN . 7.1 tmtm? -55.42 -68.13 0.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 61' ' ' ASP . 10.2 m-80 -35.65 -31.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 67' ' ' LYS . 56.6 m-80 -83.53 -60.8 2.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.449 ' HA ' ' NE2' ' A' ' 70' ' ' GLN . 1.6 tp-100 -44.35 -45.64 8.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.578 HD22 HD21 ' A' ' 60' ' ' LEU . 24.4 tp -51.21 -71.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.95 -57.69 3.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -44.5 -28.15 0.54 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -92.18 -60.85 1.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.9 mm -47.65 -49.75 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -48.14 -67.17 0.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.057 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -55.61 -36.07 66.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -56.98 -51.34 69.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -104.2 -68.94 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.439 HD11 HG12 ' A' ' 47' ' ' ILE . 43.5 mt -45.81 -38.28 7.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.34 9.18 62.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.459 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 69.6 mt -89.19 121.25 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.825 0.345 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.1 p -79.69 130.39 67.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.647 0.737 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 135.08 29.43 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.65 2.234 . . . . 0.0 112.302 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.4 pt -76.09 -20.12 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 61.9 mtm -149.54 175.01 11.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 88' ' ' GLY . 11.9 p -110.62 142.32 42.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.64 -50.39 0.75 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.39 -51.79 57.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.32 -33.51 73.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.4 tpp -69.77 -42.84 73.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.88 -30.68 62.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.9 m -76.13 -54.85 6.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.1 p -53.57 149.18 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.58 -41.78 9.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -157.78 127.54 3.28 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.602 0.715 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.425 ' CG ' ' O ' ' A' ' 34' ' ' THR . 53.3 Cg_endo -69.81 170.34 16.86 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.675 2.25 . . . . 0.0 112.32 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 99' ' ' LYS . 9.2 t70 -90.17 118.72 29.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.551 ' HE3' HD12 ' A' ' 33' ' ' LEU . 35.2 tptt -37.26 -60.6 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 57.3 mt -46.87 -68.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 m -41.83 -53.81 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 92.2 mmm -54.09 -64.29 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.434 HG22 HD13 ' A' ' 33' ' ' LEU . 75.9 t -44.68 -63.88 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 47.3 mtm -42.38 -54.18 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -58.43 -64.94 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.424 ' CB ' HD21 ' A' ' 14' ' ' LEU . 58.2 mt -41.38 -50.6 3.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 106' ' ' LEU . 53.0 m -35.53 -45.09 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -45.59 -51.54 11.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -59.91 -46.1 90.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.499 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 1.5 t80 -60.22 -61.94 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.499 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 24.9 mt-10 -51.72 -16.96 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 33.0 tpp -87.15 -36.64 17.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -119.22 35.36 4.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 32.7 pttt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 13' ' ' LYS . 6.2 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.923 0.392 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 12' ' ' SER . 4.8 tppp? -37.45 -44.6 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 15' ' ' LEU . 6.8 tp -66.1 -56.31 12.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.569 ' HB2' HD11 ' A' ' 33' ' ' LEU . 19.5 tp -34.82 -60.52 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 17' ' ' TRP . . . -39.6 -66.47 0.74 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.483 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.447 ' C ' ' O ' ' A' ' 16' ' ' GLY . 71.9 t90 -34.1 -51.46 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.732 0.301 . . . . 0.0 110.914 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.753 ' O ' HG23 ' A' ' 22' ' ' THR . 39.0 m -58.18 -48.34 80.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' GLY . 7.5 mt-30 -59.76 -50.53 73.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.482 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 1.5 mpt_? -59.99 -51.59 69.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -64.37 -63.46 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.753 HG23 ' O ' ' A' ' 18' ' ' CYS . 55.2 p -45.62 -37.35 5.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -45.55 123.79 4.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.02 -26.92 5.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.493 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.487 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 14.3 m-85 -71.85 -176.76 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 110.929 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.4 109.61 17.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.07 19.93 58.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.461 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.44 ' O ' HG12 ' A' ' 28' ' ' VAL . 59.2 t -118.96 70.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 111.096 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -94.56 106.93 18.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.0 t -85.63 103.77 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.43 HG23 ' OD2' ' A' ' 32' ' ' ASP . 11.1 t -119.93 -10.07 9.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.43 ' OD2' HG23 ' A' ' 31' ' ' THR . 8.5 m-20 -141.17 171.38 14.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.569 HD11 ' HB2' ' A' ' 15' ' ' LEU . 66.0 mt -117.4 18.33 14.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.8 p -120.59 -74.91 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.482 ' O ' ' N ' ' A' ' 38' ' ' LYS . 25.1 ptp -78.61 -36.81 43.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.4 t -39.86 -29.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.565 ' CH2' HD22 ' A' ' 106' ' ' LEU . 33.4 m95 -101.79 -25.0 13.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 35' ' ' MET . 7.9 mtpm? -45.57 -32.56 2.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 t -63.28 -52.14 63.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.35 -37.51 3.22 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 42' ' ' ALA . 47.7 mt -49.74 -64.46 0.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -34.57 -68.06 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tp -45.91 -41.18 11.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.424 ' HA ' HD13 ' A' ' 55' ' ' ILE . 61.9 m -65.35 -41.67 93.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.487 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -65.98 -16.8 64.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.5 mm -78.45 -50.04 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.26 -40.37 86.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.513 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 5.9 t-80 -70.54 -44.44 67.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' HIS . 9.5 tpt180 -35.24 -44.88 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -99.38 -48.36 4.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 14.3 mmm180 -124.05 95.27 44.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.513 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.82 -29.26 23.85 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -56.37 -54.12 49.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.0 mt -48.3 -62.67 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 44' ' ' CYS . 7.9 tt -116.45 132.41 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -100.33 106.75 18.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -76.94 -31.61 56.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -57.78 -47.1 83.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 t -70.17 -46.65 64.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.8 mt -48.68 149.19 1.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -115.8 158.1 23.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -81.26 -15.36 55.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -81.96 -29.11 32.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -84.93 116.35 23.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.1 t -99.38 -66.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -48.39 -32.87 8.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -68.46 -71.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -39.56 -32.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -79.44 -61.14 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -48.16 -36.13 12.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.0 tp -63.12 -68.74 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.34 -50.3 12.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -52.86 -28.29 22.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -89.3 -58.49 2.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 42.8 mm -52.37 -49.56 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.18 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -45.94 -70.76 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -57.71 -38.18 74.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -50.36 -49.54 53.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -109.72 -64.79 1.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 76' ' ' ALA . 20.3 mt -50.51 -42.48 54.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 99.36 -14.36 60.98 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.54 HG23 ' CD ' ' A' ' 108' ' ' GLN . 83.9 mt -62.72 97.33 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.818 0.342 . . . . 0.0 111.152 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 89.1 p -59.23 132.98 87.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.665 0.745 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 153.12 69.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.254 . . . . 0.0 112.344 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.6 pt -97.37 -23.07 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.089 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 70.1 mtm -145.35 168.15 21.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.6 p -97.06 147.64 23.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.132 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -43.75 -48.31 7.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.445 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.87 -40.9 98.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -65.84 -24.49 66.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 11.1 ttt -78.65 -35.9 44.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.41 -21.17 39.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 96.9 p -81.78 -44.52 16.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.5 p -62.61 148.16 11.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.77 -30.14 36.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.538 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -170.39 126.46 0.7 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.619 0.723 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 168.01 22.83 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.705 2.27 . . . . 0.0 112.306 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -87.43 123.08 31.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -39.08 -59.63 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 101' ' ' SER . 31.1 mt -51.65 -72.66 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 100' ' ' LEU . 56.2 m -36.6 -44.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 88.9 mmm -63.34 -60.2 3.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 38.2 t -49.23 -57.75 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 30.8 mtp -45.48 -51.05 12.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -62.7 -60.64 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.565 HD22 ' CH2' ' A' ' 37' ' ' TRP . 27.9 mt -44.41 -44.56 8.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.945 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 92.4 m -43.76 -50.02 7.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.54 ' CD ' HG23 ' A' ' 82' ' ' ILE . 44.5 mt-30 -40.69 -54.44 2.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -59.72 -53.65 55.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.55 ' CD1' ' N ' ' A' ' 111' ' ' GLU . 1.2 t80 -51.61 -63.32 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.55 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 12.4 mm-40 -42.07 -38.26 1.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 34.2 ttm -70.65 -47.02 62.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.446 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 14.5 m-85 -104.67 33.7 3.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.854 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 110' ' ' TYR . 14.5 pttt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 13' ' ' LYS . 31.9 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.896 0.379 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 12' ' ' SER . 19.0 mttp -37.36 -47.7 0.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.659 HD21 ' HB2' ' A' ' 106' ' ' LEU . 14.2 tp -61.32 -57.62 11.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.959 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.736 ' HB2' HD11 ' A' ' 33' ' ' LEU . 21.0 tp -42.85 -54.32 4.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -37.51 -56.63 1.56 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.496 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.543 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 28.9 t90 -47.92 -64.47 0.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.741 0.305 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.5 m -43.39 -56.0 3.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -46.36 -41.0 12.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.1 mtt-85 -74.71 -46.44 37.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.47 ' HG3' ' CZ2' ' A' ' 17' ' ' TRP . 48.8 mm-40 -65.32 -65.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 79.5 p -46.78 -32.01 3.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -43.31 116.84 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.72 -36.98 2.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -74.48 145.07 43.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.917 0.389 . . . . 0.0 110.881 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.48 126.38 35.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.139 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.24 -17.95 48.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.599 ' O ' HG12 ' A' ' 28' ' ' VAL . 71.3 t -88.92 62.11 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 111.179 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.425 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 12.5 p-10 -88.09 94.4 9.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -77.86 94.2 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.0 p -91.59 -37.9 12.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -131.52 179.87 5.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.736 HD11 ' HB2' ' A' ' 15' ' ' LEU . 86.1 mt -112.01 42.07 1.83 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.0 p -134.44 -69.74 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' TRP . 26.2 ptm -83.32 -39.81 20.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 65.8 m -40.76 -25.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' LYS . 58.9 m95 -103.65 -34.86 8.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' TRP . 8.2 mtpm? -34.67 -51.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.534 ' HA ' HG13 ' A' ' 65' ' ' VAL . 1.5 t -51.79 -55.92 16.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.29 -34.87 3.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.533 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.431 HD11 ' HA ' ' A' ' 62' ' ' GLU . 97.3 mt -44.84 -59.51 2.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.849 0.356 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -39.03 -68.99 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.9 tp -40.62 -39.73 1.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.0 m -68.98 -42.71 76.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.43 -28.8 67.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.06 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.0 mm -67.33 -55.04 18.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.137 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.413 HG12 HD11 ' A' ' 80' ' ' LEU . 78.2 mt -64.78 -41.58 92.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -66.9 -43.1 84.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.1 tpt85 -39.28 -50.9 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -92.68 -52.27 4.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.485 ' HD2' HD11 ' A' ' 54' ' ' LEU . 25.0 mtt85 -116.74 96.23 48.08 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.633 0.73 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -22.86 31.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.252 . . . . 0.0 112.298 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 54' ' ' LEU . 19.9 t0 -64.73 -65.09 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.485 HD11 ' HD2' ' A' ' 51' ' ' ARG . 16.6 mt -34.22 -53.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.463 HD11 HD23 ' A' ' 71' ' ' LEU . 5.8 tt -130.33 135.08 61.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -102.58 104.35 14.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -67.0 -42.12 85.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -50.46 -45.52 56.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.6 t -66.73 -49.16 66.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.417 HD21 ' CD2' ' A' ' 71' ' ' LEU . 89.5 mt -50.44 145.89 5.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -116.17 133.99 55.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.431 ' HA ' HD11 ' A' ' 41' ' ' LEU . 1.8 pm0 -50.82 -36.98 40.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -55.98 -45.22 79.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.458 ' HB2' ' ND2' ' A' ' 68' ' ' ASN . 19.0 m120 -65.02 114.15 4.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.534 HG13 ' HA ' ' A' ' 39' ' ' SER . 85.8 t -102.25 -66.74 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -51.79 -48.9 63.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 68' ' ' ASN . 0.2 OUTLIER -55.87 -67.07 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.458 ' ND2' ' HB2' ' A' ' 64' ' ' ASN . 5.0 m-80 -35.78 -36.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 65' ' ' VAL . 69.4 m-80 -76.93 -59.38 2.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -47.14 -39.94 14.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.463 HD23 HD11 ' A' ' 55' ' ' ILE . 39.4 tp -57.09 -68.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.27 -50.86 20.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -48.93 -24.6 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -97.09 -55.36 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 43.4 mm -52.47 -48.86 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -45.78 -73.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -52.88 -45.52 67.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -44.16 -53.43 6.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -104.22 -65.12 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 76' ' ' ALA . 13.9 mt -51.5 -50.48 59.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 103.5 8.77 39.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.1 mt -85.01 104.83 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.854 0.359 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.3 t -63.81 132.48 95.24 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.682 0.753 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 156.93 62.0 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.329 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.448 HG13 ' N ' ' A' ' 86' ' ' MET . 29.5 pt -106.02 -35.97 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.448 ' N ' HG13 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -126.29 161.76 27.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 28.0 p -94.64 141.65 28.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.51 -42.71 2.71 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -41.69 96.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.748 0.309 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -67.18 -23.93 65.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 11.8 tpp -79.72 -32.87 41.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.34 -34.99 28.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 m -76.04 -51.52 12.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.425 HG22 ' H ' ' A' ' 96' ' ' GLU . 9.8 p -48.22 136.0 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -68.47 -31.07 73.41 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.48 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.425 ' H ' HG22 ' A' ' 94' ' ' VAL . 45.4 tt0 -172.16 130.01 0.65 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.633 0.73 . . . . 0.0 110.906 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 157.35 60.76 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.639 2.226 . . . . 0.0 112.337 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -80.14 124.58 28.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.421 ' O ' HG23 ' A' ' 103' ' ' VAL . 5.6 tppt? -41.99 -58.96 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.1 mt -45.87 -66.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.0 m -43.61 -56.05 3.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 91.7 mmm -52.2 -63.9 0.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.824 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 99' ' ' LYS . 86.9 t -45.94 -60.28 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.123 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 107' ' ' THR . 16.3 mtm -51.14 -67.41 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.455 ' O ' ' NE2' ' A' ' 108' ' ' GLN . 53.4 t80 -41.6 -46.96 3.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.659 ' HB2' HD21 ' A' ' 14' ' ' LEU . 41.0 mt -63.07 -31.76 72.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.949 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 104' ' ' MET . 54.1 m -40.12 -59.94 1.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -43.51 -53.95 5.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -53.81 -45.19 70.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.438 ' O ' ' N ' ' A' ' 114' ' ' LYS . 2.3 t80 -65.01 -64.34 0.89 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.408 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 64.0 mt-10 -50.35 -29.61 10.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 36.6 tpp -66.39 -32.53 73.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.543 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 28.5 m-85 -129.96 28.49 5.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 110' ' ' TYR . 41.8 pttt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 13' ' ' LYS . 3.3 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.97 0.414 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 12' ' ' SER . 21.7 mmtp -38.12 -47.91 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.763 HD21 ' HB2' ' A' ' 106' ' ' LEU . 34.9 tp -65.85 -53.24 42.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.477 ' HB2' HD11 ' A' ' 33' ' ' LEU . 27.2 tp -46.43 -58.57 3.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -36.53 -57.63 1.17 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.463 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.516 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 20.8 t90 -47.58 -60.99 2.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.757 0.313 . . . . 0.0 110.91 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.7 m -49.46 -47.14 48.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -55.62 -43.36 76.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.5 mtt85 -71.4 -39.4 71.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.405 ' C ' ' N ' ' A' ' 23' ' ' ASP . 41.2 mm-40 -74.52 -67.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.502 HG21 HG21 ' A' ' 30' ' ' VAL . 68.4 p -44.16 -22.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.174 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 21' ' ' GLN . 32.3 t0 -53.08 115.44 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.7 -32.03 2.98 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.465 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.563 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 44.5 m-85 -69.82 174.01 5.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.914 0.388 . . . . 0.0 110.878 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.09 132.91 56.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.14 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.92 -2.12 70.71 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 29' ' ' ASN . 96.1 t -91.26 -74.06 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.338 . . . . 0.0 111.134 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.565 ' O ' HG23 ' A' ' 31' ' ' THR . 43.1 t30 37.34 54.9 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.502 HG21 HG21 ' A' ' 22' ' ' THR . 46.3 t -35.51 125.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 29' ' ' ASN . 65.8 p -120.8 -21.7 6.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -148.23 176.45 10.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.646 HD13 HG22 ' A' ' 103' ' ' VAL . 11.2 mt -115.26 36.98 3.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 p -133.77 -74.35 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.8 mtp -81.22 -44.5 17.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -44.75 -24.23 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.509 ' CD1' ' HA ' ' A' ' 33' ' ' LEU . 53.1 m95 -100.15 -35.47 9.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -41.15 -41.29 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.8 p -54.52 -43.29 71.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.48 -39.3 2.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.492 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.659 HD23 ' OD1' ' A' ' 68' ' ' ASN . 58.1 mt -49.68 -60.12 3.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.337 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -41.73 -56.25 2.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.0 tp -56.0 -41.87 75.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.448 ' SG ' HD13 ' A' ' 60' ' ' LEU . 84.9 m -64.12 -38.95 92.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.563 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -62.38 -24.25 67.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 49.1 mm -69.66 -59.52 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.0 mt -59.73 -38.43 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 9.5 t-80 -74.36 -40.79 61.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -39.0 -42.45 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -98.62 -53.02 3.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.407 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 46.1 mtt-85 -120.16 95.95 49.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.578 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.8 -17.73 37.24 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.657 2.238 . . . . 0.0 112.366 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.44 -53.5 23.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.567 HD22 ' HG3' ' A' ' 79' ' ' GLU . 31.9 mt -46.31 -57.01 4.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.515 HG23 ' HB2' ' A' ' 48' ' ' HIS . 6.4 tt -120.58 145.3 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -106.73 96.65 6.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -74.98 -39.2 61.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -52.03 -44.0 64.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.0 t -71.99 -47.43 52.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.483 HD11 HD23 ' A' ' 71' ' ' LEU . 71.6 mt -49.45 162.08 0.17 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -143.52 175.4 9.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -84.88 -24.97 28.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -60.73 -30.49 70.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.428 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.8 OUTLIER -99.54 85.17 3.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 85.4 t -71.08 -56.11 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -58.76 -43.92 90.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 68' ' ' ASN . 33.5 tttp -58.09 -67.21 0.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.659 ' OD1' HD23 ' A' ' 41' ' ' LEU . 2.8 m-80 -35.58 -37.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 65' ' ' VAL . 75.2 m-80 -78.46 -61.23 2.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -42.05 -44.94 3.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.483 HD23 HD11 ' A' ' 60' ' ' LEU . 34.9 tp -53.58 -67.53 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 74' ' ' ASP . . . -47.3 -54.94 9.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -45.04 -22.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 72' ' ' ALA . 9.1 t0 -99.78 -56.53 2.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.2 -46.87 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -48.52 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.69 -46.14 63.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -43.12 -54.8 4.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.567 ' HG3' HD22 ' A' ' 54' ' ' LEU . 31.9 mm-40 -103.0 -64.46 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 76' ' ' ALA . 15.4 mt -51.92 -48.62 64.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.25 -1.4 43.63 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.521 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.4 mt -75.53 106.78 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 111.104 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.4 p -65.79 131.99 94.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.68 0.752 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 146.22 59.52 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.326 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.448 HG23 ' CD1' ' A' ' 105' ' ' TYR . 39.3 pt -91.45 -21.77 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.2 ptp -152.24 176.01 12.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 58.3 p -102.45 151.44 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -47.48 -39.53 15.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.2 tttm -61.28 -54.69 40.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.746 0.308 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -55.31 -20.68 12.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.0 tpp -85.2 -24.57 27.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.46 -30.73 17.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.9 t -76.75 -49.13 16.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.9 p -56.98 145.99 6.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -73.88 -31.94 59.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -172.65 133.83 0.72 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.596 0.712 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 173.57 10.74 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.242 . . . . 0.0 112.398 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.411 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 42.9 t0 -92.91 113.15 25.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 103' ' ' VAL . 1.0 OUTLIER -36.49 -49.74 0.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.4 mt -56.71 -68.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.3 m -43.2 -52.38 5.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 79.0 mmm -53.91 -64.91 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.646 HG22 HD13 ' A' ' 33' ' ' LEU . 73.5 t -44.18 -46.43 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 39.5 mtt -60.34 -65.51 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.448 ' CD1' HG23 ' A' ' 85' ' ' ILE . 69.5 t80 -48.76 -36.51 16.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.763 ' HB2' HD21 ' A' ' 14' ' ' LEU . 89.2 mt -68.51 -34.15 75.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.7 m -37.91 -60.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.404 ' OE1' ' O ' ' A' ' 105' ' ' TYR . 0.5 OUTLIER -42.27 -58.02 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -48.2 -38.14 17.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.488 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 1.8 t80 -77.08 -64.94 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.488 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 9.8 mm-40 -47.16 -31.51 3.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 33.4 ttm -66.23 -39.33 89.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.516 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 29.7 m-85 -120.87 31.85 6.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.3 pttp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.943 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.997 0.427 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -39.68 -54.21 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.491 HD21 ' HB2' ' A' ' 106' ' ' LEU . 25.7 tp -57.21 -54.53 45.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.428 ' HA ' HD21 ' A' ' 33' ' ' LEU . 30.0 tp -41.65 -64.6 0.55 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -35.61 -62.46 0.65 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -40.16 -53.9 2.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.771 0.32 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.6 m -61.1 -42.73 99.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.956 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -56.69 -34.08 67.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 -84.02 -48.43 9.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -61.2 -56.82 16.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.8 p -57.39 -26.0 60.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -52.12 121.15 6.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.38 -28.18 4.08 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -74.28 177.16 6.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.854 0.359 . . . . 0.0 110.92 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -101.22 132.19 46.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.095 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.55 27.05 33.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.673 ' O ' HG12 ' A' ' 28' ' ' VAL . 55.5 t -116.65 74.25 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -104.57 104.8 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.5 t -77.86 102.72 4.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.4 m -101.4 -32.7 10.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -138.43 173.14 11.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.428 HD21 ' HA ' ' A' ' 15' ' ' LEU . 2.8 mt -111.93 37.86 2.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.4 p -132.12 -74.88 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.6 ptm -85.31 -31.54 22.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.17 -26.08 4.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.428 ' O ' ' C ' ' A' ' 38' ' ' LYS . 42.0 m95 -101.03 -34.66 9.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 37' ' ' TRP . 6.3 mtpm? -35.6 -39.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.3 t -55.91 -59.64 4.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.72 -40.97 1.66 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.515 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.46 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 89.4 mt -42.29 -67.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.341 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -38.31 -69.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.7 tp -42.74 -40.12 2.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 77.0 m -71.95 -31.32 66.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -73.54 -15.57 61.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.2 mm -77.45 -55.52 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mt -62.09 -44.48 99.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.499 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 45.7 t-80 -64.46 -49.92 69.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 48' ' ' HIS . 18.7 tpt85 -36.5 -50.43 0.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 113' ' ' PHE . 43.0 m-85 -88.79 -53.58 4.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -122.16 95.9 46.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.61 0.719 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.499 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.71 -22.86 31.73 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.353 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -64.84 -47.98 75.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.9 mt -50.34 -66.5 0.38 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.3 tt -113.04 139.58 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -102.43 105.42 15.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.46 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 14.4 t80 -73.94 -53.21 10.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.87 -30.89 4.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.0 t -75.87 -46.95 27.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.731 HD13 ' OD1' ' A' ' 68' ' ' ASN . 46.6 mt -55.25 174.53 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 62' ' ' GLU . 60.4 t0 -140.04 131.09 26.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.41 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 11.3 pt-20 -46.13 -38.58 8.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -58.66 -45.8 88.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -64.85 115.83 5.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.6 t -104.37 -62.11 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -57.65 -21.42 39.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 68' ' ' ASN . 0.1 OUTLIER -80.52 -69.42 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.731 ' OD1' HD13 ' A' ' 60' ' ' LEU . 10.6 m-80 -37.0 -39.97 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -76.43 -58.97 2.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -44.24 -44.25 7.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 38.9 tp -59.43 -67.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.62 -58.21 2.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -45.23 -31.73 1.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -87.69 -62.11 1.57 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.5 mm -46.2 -51.62 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -43.7 -73.4 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.058 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -52.6 -45.75 66.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -43.88 -53.37 6.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -104.44 -65.31 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 76' ' ' ALA . 14.8 mt -51.18 -59.87 3.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.94 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 115.58 1.58 21.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.497 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.478 HG21 ' CE1' ' A' ' 109' ' ' PHE . 58.9 mt -75.57 102.0 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 111.136 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 97.1 p -62.67 124.13 81.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.673 0.749 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 140.23 42.24 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.688 2.259 . . . . 0.0 112.374 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.9 pt -79.57 -26.94 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.081 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 51.6 mtm -147.52 -177.62 5.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.2 p -115.95 150.3 37.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -43.72 -40.6 5.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.01 -45.12 96.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.727 0.299 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -68.7 -36.93 79.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 32.4 ttm -69.57 -32.92 71.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.12 -29.3 54.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.048 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.2 t -80.67 -54.28 5.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.872 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.471 HG22 ' H ' ' A' ' 96' ' ' GLU . 10.4 p -53.51 139.61 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.083 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -69.84 -33.33 70.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.471 ' H ' HG22 ' A' ' 94' ' ' VAL . 19.9 tt0 -167.32 134.01 1.84 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.658 0.742 . . . . 0.0 110.919 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -179.14 2.7 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.347 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -96.77 134.11 40.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -51.04 -57.06 9.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.826 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 101' ' ' SER . 55.5 mt -54.7 -71.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 100' ' ' LEU . 5.6 t -38.0 -50.44 1.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 87.2 mmm -56.65 -62.26 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 43.9 t -47.6 -61.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 44.7 mtt -47.53 -54.5 11.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -54.13 -63.06 1.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.96 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.491 ' HB2' HD21 ' A' ' 14' ' ' LEU . 65.5 mt -46.02 -49.09 16.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.941 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 106' ' ' LEU . 24.6 m -36.56 -48.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -43.52 -46.28 6.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.478 ' CE1' HG21 ' A' ' 82' ' ' ILE . 72.4 m-85 -65.18 -50.68 65.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.495 ' CD1' ' N ' ' A' ' 111' ' ' GLU . 1.0 OUTLIER -54.69 -58.79 6.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.495 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 9.5 mt-10 -51.74 -27.06 10.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 27.0 tpp -77.26 -40.7 43.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 50' ' ' TYR . 23.2 m-85 -109.18 22.99 15.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 110' ' ' TYR . 49.4 pttt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.928 0.394 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -46.48 -47.56 19.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.556 HD21 ' HB2' ' A' ' 106' ' ' LEU . 11.5 tp -61.82 -53.79 51.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.648 ' HB2' HD11 ' A' ' 33' ' ' LEU . 30.4 tp -39.68 -61.47 0.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -38.89 -60.37 1.54 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.474 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 41.5 t90 -42.03 -52.46 4.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.745 0.307 . . . . 0.0 110.955 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.419 ' O ' HG23 ' A' ' 22' ' ' THR . 61.8 m -63.48 -45.51 90.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -57.01 -33.62 67.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -81.89 -49.93 9.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -62.43 -57.49 11.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 18' ' ' CYS . 68.4 p -53.28 -39.71 64.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 23' ' ' ASP . 5.1 t0 -43.72 123.24 3.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.1 -32.07 4.09 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.436 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.608 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 16.6 m-85 -63.51 -176.27 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.931 0.396 . . . . 0.0 110.927 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.29 113.1 24.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.07 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.87 28.52 60.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.478 ' O ' HG12 ' A' ' 28' ' ' VAL . 85.1 t -122.76 78.25 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 111.131 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 8.1 p-10 -104.46 105.03 14.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.422 HG22 ' HB3' ' A' ' 36' ' ' SER . 75.6 t -87.57 105.64 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.478 HG23 ' OD2' ' A' ' 32' ' ' ASP . 9.9 t -103.93 -21.31 13.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.167 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.478 ' OD2' HG23 ' A' ' 31' ' ' THR . 26.3 m-20 -150.77 149.01 29.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.648 HD11 ' HB2' ' A' ' 15' ' ' LEU . 8.2 mt -82.27 43.24 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.1 p -132.24 -74.2 0.51 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 37' ' ' TRP . 22.4 ptm -81.19 -38.91 26.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.422 ' HB3' HG22 ' A' ' 30' ' ' VAL . 49.9 m -38.62 -26.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.495 ' N ' ' O ' ' A' ' 35' ' ' MET . 49.2 m95 -102.85 -32.53 9.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 35' ' ' MET . 10.3 mtpt -40.02 -48.19 2.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.4 t -51.13 -55.77 16.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.53 -42.43 1.59 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.498 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.5 mt -45.67 -59.22 2.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -39.44 -70.48 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.1 tp -44.5 -41.49 6.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 79.8 m -66.48 -32.72 74.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.608 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -71.57 -17.02 62.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.4 mm -78.95 -44.72 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.411 ' CG2' ' HB2' ' A' ' 54' ' ' LEU . 97.1 mt -71.29 -38.5 69.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' A' ' 49' ' ' ARG . 11.4 t-80 -72.61 -50.44 25.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' HIS . 14.0 tpt180 -34.9 -42.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -99.37 -51.94 3.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.942 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -122.35 96.71 45.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.599 0.714 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -19.03 36.6 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.65 2.233 . . . . 0.0 112.368 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.83 -55.86 11.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.411 ' HB2' ' CG2' ' A' ' 47' ' ' ILE . 8.2 mt -42.7 -60.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.2 tt -119.42 147.61 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -111.36 98.92 7.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -63.74 -55.47 22.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -42.93 -40.54 3.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 p -68.92 -40.69 78.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.452 HD21 ' CD2' ' A' ' 71' ' ' LEU . 65.0 mt -68.38 146.44 53.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -120.39 139.86 52.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -48.26 -45.33 34.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -47.61 -47.69 28.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.416 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 5.3 m-20 -68.26 110.71 4.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.5 t -98.75 -66.32 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -51.36 -37.2 46.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 68' ' ' ASN . 20.3 tttp -64.96 -69.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 67' ' ' LYS . 5.3 m-80 -36.52 -35.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -79.87 -62.15 1.77 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -44.0 -36.91 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.452 ' CD2' HD21 ' A' ' 60' ' ' LEU . 26.1 tp -63.06 -69.08 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.56 -59.06 1.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -42.39 -32.27 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -88.8 -59.42 2.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 42.9 mm -47.14 -52.33 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -46.1 -72.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -54.36 -33.62 59.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -59.26 -44.14 92.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -112.53 -65.01 1.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 76' ' ' ALA . 19.6 mt -51.15 -46.26 61.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 103.17 -7.57 52.16 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.486 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.464 HG23 ' CD ' ' A' ' 108' ' ' GLN . 63.6 mt -71.64 108.84 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.361 . . . . 0.0 111.137 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 76.9 p -67.55 129.11 93.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.641 0.734 . . . . 0.0 110.814 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 147.65 63.35 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.529 HD12 ' HB3' ' A' ' 101' ' ' SER . 30.2 pt -92.85 -33.34 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.15 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -128.99 174.74 9.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 88' ' ' GLY . 78.2 p -117.28 142.0 47.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.73 -46.95 0.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -47.41 81.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 87' ' ' THR . 4.5 mm-40 -66.63 -21.98 66.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.7 ttm -83.8 -37.24 22.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.42 -27.58 46.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.7 m -83.77 -54.85 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.1 p -52.59 138.47 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.75 -40.14 95.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.464 ' CG ' ' HD2' ' A' ' 97' ' ' PRO . 24.3 tt0 -162.41 139.04 5.98 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.626 0.726 . . . . 0.0 110.879 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 53.7 Cg_endo -69.8 176.85 6.26 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.659 2.239 . . . . 0.0 112.324 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -102.07 124.87 48.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.831 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.539 ' O ' HG23 ' A' ' 103' ' ' VAL . 13.7 tppt? -41.33 -52.1 3.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.8 mt -54.24 -65.34 0.59 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.529 ' HB3' HD12 ' A' ' 85' ' ' ILE . 60.4 m -46.89 -52.82 13.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.413 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 84.8 mmm -53.64 -63.4 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 99' ' ' LYS . 94.3 t -50.5 -63.17 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.7 mtt -46.49 -49.69 18.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.462 ' HB2' HD13 ' A' ' 85' ' ' ILE . 32.8 t80 -59.74 -66.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.556 ' HB2' HD21 ' A' ' 14' ' ' LEU . 44.5 mt -43.13 -48.14 6.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 106' ' ' LEU . 89.5 m -34.96 -47.36 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.464 ' CD ' HG23 ' A' ' 82' ' ' ILE . 51.2 mt-30 -47.03 -47.34 22.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 106' ' ' LEU . 66.8 m-85 -67.63 -49.33 63.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.481 ' O ' ' N ' ' A' ' 114' ' ' LYS . 1.4 t80 -53.97 -60.64 3.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.478 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 13.8 mt-10 -49.51 -30.89 9.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 22.9 tpp -74.54 -35.93 63.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.474 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 23.8 m-85 -113.74 24.95 11.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 110' ' ' TYR . 11.0 pttp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 13' ' ' LYS . 2.4 m . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.922 0.392 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 12' ' ' SER . 16.9 mmtp -34.76 -49.19 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 tp -57.8 -56.94 15.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.6 tp -41.1 -57.22 2.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.88 -59.4 2.07 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.478 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.44 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 31.3 t90 -39.73 -48.47 2.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.737 0.303 . . . . 0.0 110.932 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.2 m -65.91 -48.78 70.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -54.7 -36.15 64.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -79.93 -49.2 12.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -61.69 -60.09 4.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.8 p -51.79 -30.39 22.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -44.75 124.18 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.26 -29.34 5.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.519 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -75.11 -177.15 3.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.936 0.398 . . . . 0.0 110.91 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.55 118.89 35.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.057 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.93 28.87 74.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.497 ' O ' ' N ' ' A' ' 30' ' ' VAL . 39.7 t -117.87 -20.93 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 111.144 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 28' ' ' VAL . 13.5 t30 -36.79 93.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 28' ' ' VAL . 72.9 t -59.53 133.04 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.6 p -118.46 -26.23 6.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -140.72 -175.51 4.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.431 HD13 HG22 ' A' ' 103' ' ' VAL . 41.1 mt -119.23 31.98 6.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.5 p -132.49 -72.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.173 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 38' ' ' LYS . 17.6 mtp -79.22 -46.21 18.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.1 m -38.73 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.455 ' CH2' HD22 ' A' ' 106' ' ' LEU . 77.3 m95 -96.53 -33.22 11.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 35' ' ' MET . 8.7 mtpm? -38.9 -45.23 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.3 t -53.06 -59.52 4.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.06 -37.48 2.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 42' ' ' ALA . 83.2 mt -45.9 -59.12 3.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.446 ' HA ' HG13 ' A' ' 28' ' ' VAL . . . -35.89 -70.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.085 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.6 tp -43.2 -43.8 4.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 67.6 m -64.83 -36.6 84.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.34 -8.28 54.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.5 mm -87.59 -41.46 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 81.4 mt -76.08 -41.17 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.45 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 11.6 t-80 -68.44 -40.97 80.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.6 tpt85 -40.01 -42.04 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -101.69 -52.36 3.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.469 ' NE ' HD11 ' A' ' 54' ' ' LEU . 15.6 mtm180 -122.24 95.7 46.95 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 110.85 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.45 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 54.4 Cg_endo -69.75 -26.07 28.02 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.717 2.278 . . . . 0.0 112.381 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -58.16 -49.54 76.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.469 HD11 ' NE ' ' A' ' 51' ' ' ARG . 16.2 mt -50.4 -65.75 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.5 tt -114.08 132.32 63.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -97.2 105.11 17.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -70.11 -46.83 64.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -51.19 -41.89 60.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.5 p -65.17 -39.06 92.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.436 HD13 ' OD1' ' A' ' 68' ' ' ASN . 88.2 mt -66.49 168.18 9.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -148.32 131.51 16.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.417 ' CD ' ' N ' ' A' ' 63' ' ' GLN . 3.1 pp20? -39.91 -45.37 1.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.417 ' N ' ' CD ' ' A' ' 62' ' ' GLU . 72.4 mt-30 -42.09 -53.27 4.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.402 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 5.7 m-20 -69.92 115.09 8.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.42 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 73.6 t -101.25 -59.32 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.147 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -58.27 -42.2 86.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 68' ' ' ASN . 15.4 ttpp -58.71 -66.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.436 ' OD1' HD13 ' A' ' 60' ' ' LEU . 6.3 m-80 -36.12 -42.79 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 65' ' ' VAL . 71.5 m-80 -72.13 -61.84 1.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -43.24 -40.58 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 32.7 tp -61.65 -68.64 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.83 -50.31 4.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -51.79 -35.29 43.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -82.73 -57.6 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.2 mm -51.37 -54.54 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -44.94 -66.59 0.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -57.55 -35.73 70.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -57.63 -47.02 83.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -108.02 -66.28 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 76' ' ' ALA . 32.6 mt -49.32 -41.58 38.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 97.45 -7.97 64.05 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.727 HG23 ' NE2' ' A' ' 108' ' ' GLN . 71.2 mt -70.25 111.85 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 111.117 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.8 p -68.13 131.62 92.08 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.705 0.764 . . . . 0.0 110.824 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 136.72 33.56 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.638 2.225 . . . . 0.0 112.33 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.9 pt -85.56 -24.44 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 75.2 mtm -141.18 163.8 31.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 88' ' ' GLY . 81.7 p -101.34 138.29 38.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -35.5 -41.66 0.38 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.46 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -62.64 -52.39 63.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.751 0.31 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -58.44 -32.49 68.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.7 tpt -71.9 -37.79 70.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.83 -26.41 40.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.075 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.2 t -83.13 -51.99 7.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.1 p -50.06 150.94 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.07 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -80.51 -36.18 24.01 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.458 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -165.48 131.67 2.09 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.619 0.723 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.41 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 53.1 Cg_endo -69.78 171.27 14.78 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.31 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -96.56 128.97 44.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.583 ' O ' HG23 ' A' ' 103' ' ' VAL . 10.9 tppt? -47.62 -47.71 28.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.3 mt -56.79 -72.15 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.1 p -41.73 -54.6 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.41 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 89.8 mmm -51.08 -62.49 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 99' ' ' LYS . 69.7 t -49.63 -56.44 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 59.7 mtm -50.26 -61.98 1.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -48.86 -61.51 2.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 108' ' ' GLN . 22.9 mt -46.78 -49.53 19.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.7 m -38.15 -28.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.727 ' NE2' HG23 ' A' ' 82' ' ' ILE . 46.6 mt-30 -63.65 -46.76 84.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 106' ' ' LEU . 50.8 m-85 -66.55 -43.17 85.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 114' ' ' LYS . 2.5 t80 -60.85 -61.83 2.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.949 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.458 ' HA ' ' CD ' ' A' ' 114' ' ' LYS . 15.9 mt-10 -52.9 -23.36 6.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 16.5 tpp -78.8 -26.7 44.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.44 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 21.1 m-85 -131.32 29.81 4.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.458 ' CD ' ' HA ' ' A' ' 111' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.915 0.388 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -42.42 84.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.1 tp -67.56 -46.29 73.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 16' ' ' GLY . 53.7 tp -47.68 -64.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -35.15 -53.89 0.92 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.465 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -51.63 -55.22 20.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.749 0.309 . . . . 0.0 110.914 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.762 ' O ' HG23 ' A' ' 22' ' ' THR . 78.1 m -55.42 -36.95 67.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -71.42 -35.53 71.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -78.12 -30.91 49.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -84.7 -53.93 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.762 HG23 ' O ' ' A' ' 18' ' ' CYS . 30.8 p -60.53 -11.94 8.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.88 124.87 21.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.56 -31.13 4.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.491 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 60.7 m-85 -75.07 170.56 15.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.893 0.378 . . . . 0.0 110.887 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -111.59 127.06 55.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.128 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.01 -32.64 5.74 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.419 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.875 HG12 HG23 ' A' ' 30' ' ' VAL . 16.5 t -53.74 -68.48 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 111.124 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 28' ' ' VAL . 24.3 t30 34.49 46.03 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.875 HG23 HG12 ' A' ' 28' ' ' VAL . 51.6 t -44.42 106.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.421 HG23 ' CG ' ' A' ' 32' ' ' ASP . 8.9 t -106.56 -35.57 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.421 ' CG ' HG23 ' A' ' 31' ' ' THR . 9.0 m-20 -128.7 148.53 50.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.413 HD21 ' HA ' ' A' ' 15' ' ' LEU . 3.1 mt -85.77 40.66 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.3 p -131.38 -73.01 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 38' ' ' LYS . 8.3 ptp -78.54 -42.59 28.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.445 ' HB3' HG22 ' A' ' 30' ' ' VAL . 67.7 m -35.11 -33.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.701 ' CH2' HD22 ' A' ' 106' ' ' LEU . 37.1 m95 -95.84 -36.27 11.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 35' ' ' MET . 20.4 mtpp -35.5 -52.29 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.4 p -54.02 -58.64 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.37 -36.3 2.61 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.9 mt -44.81 -57.49 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.795 0.331 . . . . 0.0 110.938 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -41.43 -71.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.9 tp -42.26 -45.23 4.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 83.4 m -65.33 -32.02 73.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.491 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -75.59 -24.63 56.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.522 HD11 ' CG2' ' A' ' 22' ' ' THR . 30.4 mm -72.27 -55.64 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.44 HG12 HD11 ' A' ' 80' ' ' LEU . 52.5 mt -58.14 -44.97 88.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.436 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 19.3 t-80 -66.31 -46.1 78.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 48' ' ' HIS . 19.1 tpt180 -36.0 -44.8 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 113' ' ' PHE . 15.0 m-85 -96.75 -52.52 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.8 mmt-85 -120.86 95.65 48.88 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.576 0.703 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.436 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.77 -20.24 35.06 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.81 -51.2 63.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.576 ' CD1' HD21 ' A' ' 80' ' ' LEU . 37.2 mt -49.3 -56.49 9.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.429 HD11 HD23 ' A' ' 71' ' ' LEU . 8.5 tt -127.78 143.36 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -107.86 106.18 16.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.437 ' HA ' HD12 ' A' ' 60' ' ' LEU . 31.5 t80 -76.63 -31.3 57.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -65.96 -17.84 64.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -95.38 -41.5 8.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.452 HD21 ' CD2' ' A' ' 71' ' ' LEU . 32.1 mt -56.67 151.4 13.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.473 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 4.7 m-20 -116.29 131.01 57.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -46.98 -49.48 20.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' ' 64' ' ' ASN . 5.5 pt20 -46.43 -34.06 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.501 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 52.5 m-20 -74.39 109.74 8.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.413 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 56.1 t -100.47 -68.12 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -54.39 -36.47 63.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -66.04 -63.51 1.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 64' ' ' ASN . 4.9 m-80 -39.46 -30.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 65' ' ' VAL . 71.0 m-80 -83.4 -62.32 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.835 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -42.53 -34.75 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.452 ' CD2' HD21 ' A' ' 60' ' ' LEU . 43.8 tp -67.31 -66.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.3 -57.24 4.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.402 ' HD1' ' HH ' ' A' ' 105' ' ' TYR . 17.5 m-85 -45.42 -23.15 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -95.7 -60.19 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.2 mm -50.98 -48.71 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -46.55 -72.56 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -53.59 -45.81 70.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.411 ' NZ ' ' HA ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -42.75 -54.66 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -103.99 -64.08 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.576 HD21 ' CD1' ' A' ' 54' ' ' LEU . 16.3 mt -51.47 -50.0 60.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 106.65 -3.99 36.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.461 HG23 ' OE1' ' A' ' 108' ' ' GLN . 79.5 mt -71.91 101.53 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.809 0.338 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.8 t -64.48 131.84 95.2 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.64 0.733 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 149.39 66.86 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.4 pt -97.13 -26.46 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.3 mtm -135.67 -174.99 3.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 35.0 p -115.51 146.98 41.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -44.54 -45.24 8.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -66.08 -42.04 89.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.778 0.323 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -66.33 -25.74 66.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 17.2 tpp -78.45 -35.63 46.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -83.27 -19.87 35.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.05 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 t -87.92 -47.65 8.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.1 p -54.53 154.89 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.1 -43.97 7.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -156.25 133.44 6.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.663 0.744 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.434 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 54.0 Cg_endo -69.81 176.73 6.42 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.31 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 99' ' ' LYS . 46.2 t0 -98.79 114.46 27.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.421 ' O ' HG23 ' A' ' 103' ' ' VAL . 27.4 tptt -35.5 -50.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.8 mt -57.78 -74.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.8 t -38.24 -45.19 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.797 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.434 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 94.3 mmm -61.36 -62.89 1.5 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 99' ' ' LYS . 57.6 t -49.17 -50.58 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.421 ' O ' ' N ' ' A' ' 107' ' ' THR . 63.5 mtm -59.72 -73.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 104' ' ' MET . 55.8 t80 -37.13 -44.01 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.701 HD22 ' CH2' ' A' ' 37' ' ' TRP . 31.3 mt -65.49 -45.7 82.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.945 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 104' ' ' MET . 18.1 m -36.47 -45.99 0.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.461 ' OE1' HG23 ' A' ' 82' ' ' ILE . 36.6 mt-30 -46.32 -51.62 14.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.445 ' CE1' HG21 ' A' ' 82' ' ' ILE . 76.3 m-85 -59.84 -48.74 80.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 114' ' ' LYS . 2.9 t80 -57.64 -65.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.445 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 35.8 mt-10 -48.34 -28.87 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 20.1 tpp -74.18 -36.15 64.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.56 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 27.8 m-85 -112.57 18.17 18.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 110' ' ' TYR . 51.1 pttt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.7 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.932 0.396 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.14 -42.92 51.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.74 HD21 ' HB2' ' A' ' 106' ' ' LEU . 40.7 tp -53.02 -48.46 67.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.597 ' HB2' HD11 ' A' ' 33' ' ' LEU . 25.9 tp -47.52 -55.95 8.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.47 -58.28 4.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.45 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 51.4 t90 -42.13 -52.38 4.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.762 0.315 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 66.5 m -61.99 -52.27 64.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -47.8 -42.58 26.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -75.71 -49.16 19.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -59.75 -64.4 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.2 p -47.05 -44.39 20.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -37.94 128.44 1.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.87 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.61 -30.92 5.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -71.61 -177.83 2.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 0.0 110.912 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.07 121.38 43.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.52 25.64 70.28 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.481 ' O ' HG12 ' A' ' 28' ' ' VAL . 85.9 t -121.15 71.72 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.849 0.357 . . . . 0.0 111.115 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 29' ' ' ASN . 38.5 t-20 -104.33 90.85 3.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.27 105.24 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.9 p -106.42 -37.17 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -117.18 -175.01 2.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.597 HD11 ' HB2' ' A' ' 15' ' ' LEU . 49.5 mt -121.86 20.3 10.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.2 p -130.41 -72.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 95.6 mtp -69.92 -38.67 76.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.8 t -44.29 -35.4 2.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.414 ' CH2' HD22 ' A' ' 106' ' ' LEU . 48.4 m95 -93.57 -33.05 13.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.97 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -39.4 -37.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.7 t -60.72 -58.89 6.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.22 -36.36 2.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.61 HD21 ' HA ' ' A' ' 62' ' ' GLU . 94.8 mt -47.27 -65.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.948 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -37.79 -69.71 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 tp -40.26 -43.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 79.9 m -67.33 -40.17 85.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -64.47 -29.25 70.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.06 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.3 mm -64.66 -54.33 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.547 HG12 HD11 ' A' ' 80' ' ' LEU . 34.7 mt -62.26 -46.53 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 15.6 t-80 -65.45 -40.77 93.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.825 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.2 tpt85 -39.75 -42.63 1.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -102.69 -50.53 3.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.4 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 46.5 mmt-85 -120.58 95.76 48.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.589 0.709 . . . . 0.0 110.85 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.552 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.7 -27.7 26.46 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.695 2.263 . . . . 0.0 112.398 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -55.28 36.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 29.2 mt -43.93 -62.65 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.9 tt -115.08 132.25 64.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -99.19 90.87 4.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.601 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 14.3 t80 -66.2 -30.71 71.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.14 -38.76 80.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.9 t -74.22 -44.25 53.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.547 HD21 ' CD2' ' A' ' 71' ' ' LEU . 90.7 mt -53.63 166.9 0.27 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -132.83 140.88 48.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.61 ' HA ' HD21 ' A' ' 41' ' ' LEU . 11.0 pt-20 -54.53 -44.01 72.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -56.36 -43.58 79.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -64.34 111.99 2.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.1 t -101.38 -65.14 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -51.94 -27.92 14.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.7 OUTLIER -76.4 -67.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 67' ' ' LYS . 3.7 m-80 -35.43 -32.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 67' ' ' LYS . 80.8 m-20 -83.58 -60.31 2.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -44.16 -39.56 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.547 ' CD2' HD21 ' A' ' 60' ' ' LEU . 25.1 tp -62.73 -67.45 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.4 -58.67 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -43.79 -26.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -93.61 -58.92 2.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.807 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.4 mm -50.58 -50.31 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -46.45 -72.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -54.04 -39.73 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -50.21 -49.42 52.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -109.58 -65.81 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.547 HD11 HG12 ' A' ' 47' ' ' ILE . 42.5 mt -47.45 -48.12 26.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 105.53 -5.45 40.79 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.494 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.569 HG23 ' CD ' ' A' ' 108' ' ' GLN . 58.6 mt -74.48 103.22 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.812 0.339 . . . . 0.0 111.145 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.9 p -62.24 132.7 94.06 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.685 0.755 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 131.53 21.38 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 2.268 . . . . 0.0 112.365 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 28.4 pt -76.62 -21.45 14.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 68.9 mtm -148.84 168.75 22.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 90' ' ' GLU . 28.8 p -100.72 141.34 33.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.136 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -37.12 -44.89 1.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.524 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -61.45 -40.22 93.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.742 0.306 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 87' ' ' THR . 27.9 mm-40 -67.77 -29.25 68.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.2 ttt -77.95 -23.32 48.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -88.91 -24.23 22.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.3 t -87.78 -46.8 9.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.8 p -56.57 150.93 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -82.41 -34.99 21.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.445 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -163.46 134.78 3.65 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.598 0.713 . . . . 0.0 110.932 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 157.16 61.35 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.701 2.267 . . . . 0.0 112.374 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 99' ' ' LYS . 24.2 t0 -81.08 114.4 19.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 98' ' ' ASP . 18.9 tptm -33.98 -73.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 99' ' ' LYS . 50.3 mt -37.46 -54.74 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.0 m -55.24 -41.89 72.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.574 ' HE3' HD11 ' A' ' 106' ' ' LEU . 90.4 mmm -66.3 -61.29 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 85.3 t -47.98 -54.42 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 64.0 mtm -56.28 -71.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -40.74 -47.58 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.74 ' HB2' HD21 ' A' ' 14' ' ' LEU . 71.1 mt -62.38 -39.74 94.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 39.6 m -47.43 -32.99 5.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.569 ' CD ' HG23 ' A' ' 82' ' ' ILE . 69.8 mt-30 -58.52 -43.87 89.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -70.11 -43.06 71.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 114' ' ' LYS . 1.8 t80 -63.88 -63.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.474 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 9.6 mm-40 -45.27 -37.43 4.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 12.5 ttp -72.51 -41.2 66.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -105.65 28.44 7.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 110' ' ' TYR . 14.4 pttp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.883 0.373 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt -45.09 -50.5 11.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.598 HD21 ' HB2' ' A' ' 106' ' ' LEU . 44.8 tp -58.65 -49.36 77.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.47 ' HB2' HD11 ' A' ' 33' ' ' LEU . 41.2 tp -44.87 -59.49 2.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -40.39 -53.15 3.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.512 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 57.2 t90 -51.97 -56.08 16.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.765 0.317 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.4 m -56.44 -49.94 73.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -51.67 -40.52 60.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.1 mmt-85 -73.88 -51.92 14.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -61.66 -63.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.473 HG21 HG21 ' A' ' 30' ' ' VAL . 82.0 p -46.98 -38.39 10.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 22' ' ' THR . 18.2 t70 -36.91 130.96 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.51 -39.3 2.61 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.458 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -70.03 174.88 4.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.896 0.379 . . . . 0.0 110.925 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.88 137.57 51.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.116 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.15 -38.15 3.08 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.71 HG12 HG23 ' A' ' 30' ' ' VAL . 84.2 t -50.35 -67.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.629 ' O ' HG23 ' A' ' 31' ' ' THR . 9.9 t-20 33.84 51.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.71 HG23 HG12 ' A' ' 28' ' ' VAL . 84.5 t -44.08 109.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 29' ' ' ASN . 70.0 p -106.51 -38.63 6.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -126.22 -175.13 3.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.521 HD23 ' HE1' ' A' ' 37' ' ' TRP . 69.2 mt -121.31 27.21 8.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.2 p -125.02 -66.1 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 37' ' ' TRP . 12.2 ptp -88.44 -41.94 12.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' MET . 5.4 p -37.47 -30.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.521 ' HE1' HD23 ' A' ' 33' ' ' LEU . 60.9 m95 -98.77 -34.58 10.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 37' ' ' TRP . 5.5 mtpm? -34.33 -44.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.615 ' HA ' HG13 ' A' ' 65' ' ' VAL . 36.1 p -57.54 -59.6 4.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.07 -42.09 1.47 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.466 HD21 ' HA ' ' A' ' 62' ' ' GLU . 38.3 mt -42.45 -49.1 5.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.354 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.88 -57.85 8.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 tp -57.23 -47.91 80.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.5 m -60.2 -35.01 74.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.26 -32.09 73.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.058 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 37.1 mm -65.86 -51.19 64.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.4 mt -63.14 -44.1 99.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.522 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 9.5 t-80 -66.8 -49.51 65.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' HIS . 14.8 tpt180 -34.03 -52.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.412 ' CE2' ' HB3' ' A' ' 113' ' ' PHE . 7.6 m-85 -87.6 -46.71 9.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 44.7 mmt-85 -129.83 96.75 25.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.563 0.697 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.522 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.81 -33.67 15.95 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.66 -57.69 9.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 35.7 mt -42.57 -61.53 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.4 tt -121.84 133.4 68.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -98.4 103.73 15.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -72.65 -55.21 7.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -43.68 -41.28 4.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.7 m -67.11 -48.81 67.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.688 HD13 ' OD1' ' A' ' 68' ' ' ASN . 83.9 mt -52.73 156.11 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -116.8 139.4 50.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.466 ' HA ' HD21 ' A' ' 41' ' ' LEU . 7.1 pt-20 -55.59 -36.92 67.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -57.65 -46.28 84.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.443 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 12.0 m120 -66.72 113.0 4.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.615 HG13 ' HA ' ' A' ' 39' ' ' SER . 96.8 t -101.04 -63.36 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -56.14 -38.39 70.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -60.98 -62.33 1.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.688 ' OD1' HD13 ' A' ' 60' ' ' LEU . 8.7 m-80 -43.18 -45.0 5.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -68.47 -59.74 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -43.78 -47.29 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.0 tp -59.53 -68.47 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.24 -56.52 5.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.067 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -44.39 -34.47 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -84.82 -60.96 1.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.3 mm -47.47 -54.27 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -41.73 -69.09 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.083 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.431 ' HA ' ' C ' ' A' ' 81' ' ' GLY . 15.8 tt0 -56.78 -40.25 75.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -51.1 -50.01 59.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -106.01 -65.19 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 76' ' ' ALA . 34.4 mt -52.19 -40.19 61.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.431 ' C ' ' HA ' ' A' ' 77' ' ' GLU . . . 102.04 -19.54 48.81 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.537 HD13 ' CD1' ' A' ' 109' ' ' PHE . 73.5 mt -60.94 100.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 111.103 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.8 t -63.24 132.06 94.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.673 0.749 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 127.38 14.51 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 86' ' ' MET . 28.1 pt -65.95 -30.83 51.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.423 ' N ' HG13 ' A' ' 85' ' ' ILE . 6.3 ptp -152.69 159.0 43.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 70.2 p -80.74 150.87 29.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -48.38 -44.52 28.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.524 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.76 -58.13 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.311 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -54.82 -41.47 70.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.7 tpp -57.72 -32.6 67.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.0 -38.37 36.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.6 m -70.04 -54.98 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 94' ' ' VAL . 7.8 p -50.56 130.39 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.88 -47.8 87.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.541 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -149.95 134.31 9.22 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.651 0.739 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 172.36 12.82 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.308 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 99' ' ' LYS . 29.9 t0 -94.99 114.98 26.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.434 ' O ' HG23 ' A' ' 103' ' ' VAL . 18.8 tptm -35.12 -50.01 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 15.4 mt -55.25 -65.93 0.5 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 t -46.16 -45.64 16.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 89.8 mmm -60.43 -62.86 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 99' ' ' LYS . 96.3 t -51.19 -57.33 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 41.2 mtm -51.05 -58.8 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -49.6 -61.95 1.83 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.598 ' HB2' HD21 ' A' ' 14' ' ' LEU . 96.8 mt -49.13 -50.22 38.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 106' ' ' LEU . 35.2 m -33.04 -52.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.419 ' CD ' HG23 ' A' ' 82' ' ' ILE . 44.6 mt-30 -39.98 -58.93 1.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.537 ' CD1' HD13 ' A' ' 82' ' ' ILE . 79.2 m-85 -52.61 -48.44 66.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.516 ' CD1' ' N ' ' A' ' 111' ' ' GLU . 0.8 OUTLIER -56.98 -58.63 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.867 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.516 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 33.9 mt-10 -50.81 -37.9 45.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 19.7 ttp -71.71 -43.38 66.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.412 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 19.9 m-85 -105.93 35.9 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 110' ' ' TYR . 16.9 pttp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 13' ' ' LYS . 16.0 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.899 0.38 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 12' ' ' SER . 40.9 tptt -34.43 -55.49 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.518 HD21 ' HB2' ' A' ' 106' ' ' LEU . 13.4 tp -55.47 -56.08 24.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.723 ' HB2' HD11 ' A' ' 33' ' ' LEU . 17.9 tp -43.69 -59.59 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -36.59 -49.05 1.31 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.451 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 37.1 t90 -52.2 -52.71 50.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.717 0.294 . . . . 0.0 110.912 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 73.4 m -58.88 -54.68 44.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -48.68 -38.09 20.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -76.11 -47.97 22.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -66.59 -64.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.4 p -44.2 -34.4 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -39.9 120.71 1.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.15 -33.68 2.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.473 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -77.32 148.55 35.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.901 0.381 . . . . 0.0 110.936 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.86 126.69 36.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.35 -20.97 27.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.695 ' O ' HG12 ' A' ' 28' ' ' VAL . 97.8 t -82.63 60.86 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 111.102 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 11.3 p-10 -87.28 89.33 7.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.9 t -74.48 98.64 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.581 HG23 ' OD2' ' A' ' 32' ' ' ASP . 7.8 t -105.55 -20.69 13.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.581 ' OD2' HG23 ' A' ' 31' ' ' THR . 0.5 OUTLIER -145.54 144.46 30.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 15' ' ' LEU . 85.5 mt -84.0 39.85 0.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.2 p -134.8 -63.36 0.7 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.436 ' O ' ' N ' ' A' ' 38' ' ' LYS . 6.4 mtt -85.63 -40.82 15.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.3 m -42.87 -25.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.569 ' HE1' HD23 ' A' ' 33' ' ' LEU . 57.7 m95 -102.79 -26.74 13.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 35' ' ' MET . 6.2 mtpm? -47.32 -39.74 15.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.8 p -65.89 -40.82 91.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.16 -34.83 5.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.48 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 97.3 mt -43.41 -62.78 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -35.58 -71.27 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 43' ' ' LEU . 12.7 tp -43.7 -41.33 4.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 44.5 m -66.7 -36.13 81.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.92 -25.78 61.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.052 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.1 mm -67.47 -52.43 41.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.63 HG12 HD11 ' A' ' 80' ' ' LEU . 85.5 mt -64.77 -43.77 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.526 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 26.9 t-80 -63.31 -44.76 94.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.8 tpt85 -37.93 -51.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -90.57 -52.35 4.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.482 ' HD2' HD11 ' A' ' 54' ' ' LEU . 39.6 mtt-85 -120.73 95.79 48.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.526 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.78 -18.14 37.09 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.316 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -70.03 -55.84 8.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.648 HD22 ' HG3' ' A' ' 79' ' ' GLU . 29.1 mt -41.99 -57.93 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.7 tt -121.41 147.89 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -111.49 105.52 14.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.48 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 35.2 t80 -78.39 -47.44 17.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -48.1 -37.91 16.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 t -74.94 -50.68 15.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.521 HD13 ' OD1' ' A' ' 68' ' ' ASN . 43.7 mt -49.95 169.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -140.13 154.41 46.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -70.9 -37.78 72.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -55.33 -31.4 61.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -89.6 114.99 26.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 87.2 t -101.04 -68.51 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -45.18 -34.9 2.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 68' ' ' ASN . 5.9 mptt -66.36 -75.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.521 ' OD1' HD13 ' A' ' 60' ' ' LEU . 13.3 m-80 -34.88 -45.07 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -62.88 -61.94 2.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -45.7 -42.66 11.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.5 tp -58.35 -69.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.03 -56.84 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -46.0 -25.39 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -94.22 -61.46 1.52 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.2 mm -48.4 -48.45 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.104 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -47.64 -71.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -51.96 -36.68 50.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -58.07 -47.31 83.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.648 ' HG3' HD22 ' A' ' 54' ' ' LEU . 34.9 mm-40 -107.63 -70.17 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.63 HD11 HG12 ' A' ' 47' ' ' ILE . 20.5 mt -47.68 -32.18 5.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.3 8.79 84.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.487 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.535 HG23 ' CD ' ' A' ' 108' ' ' GLN . 87.7 mt -86.82 111.43 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.872 0.368 . . . . 0.0 111.124 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.8 m -67.04 130.63 93.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.636 0.731 . . . . 0.0 110.848 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 137.32 35.06 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.654 2.236 . . . . 0.0 112.371 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.42 HD13 ' HB2' ' A' ' 105' ' ' TYR . 15.9 pt -86.69 -23.88 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 58.9 mtm -137.15 169.35 17.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 39.6 p -110.77 146.38 36.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.44 -47.24 3.69 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.5 -58.88 6.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -52.62 -31.64 37.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 3.5 tpp -69.82 -42.64 73.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.52 -17.06 60.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 m -87.14 -45.56 10.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.478 HG22 ' H ' ' A' ' 96' ' ' GLU . 9.9 p -61.98 141.51 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.112 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.3 -29.91 59.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.478 ' H ' HG22 ' A' ' 94' ' ' VAL . 31.1 tt0 -169.48 130.52 1.01 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.898 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.469 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 53.8 Cg_endo -69.73 164.38 34.72 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.377 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -90.34 129.79 36.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.829 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -45.98 -60.61 2.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 61.3 mt -47.78 -66.47 0.4 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.4 m -44.08 -55.75 4.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.469 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 87.3 mmm -52.15 -63.8 1.02 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.9 t -46.15 -51.81 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 17.4 mtt -52.96 -56.26 17.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.42 ' HB2' HD13 ' A' ' 85' ' ' ILE . 29.1 t80 -57.01 -58.84 6.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.518 ' HB2' HD21 ' A' ' 14' ' ' LEU . 21.8 mt -47.6 -48.99 28.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 106' ' ' LEU . 99.2 m -34.06 -49.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.535 ' CD ' HG23 ' A' ' 82' ' ' ILE . 53.7 mt-30 -47.78 -46.58 30.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 106' ' ' LEU . 65.9 m-85 -65.1 -32.01 73.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.519 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 1.6 t80 -75.71 -63.89 1.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.519 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 45.5 mt-10 -46.39 -25.05 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 47.0 tpp -76.48 -35.85 58.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.451 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 29.8 m-85 -123.49 29.69 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 110' ' ' TYR . 44.7 pttt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.999 0.428 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.38 -53.73 16.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.946 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.503 HD21 ' CB ' ' A' ' 106' ' ' LEU . 13.7 tp -60.38 -46.54 89.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 16' ' ' GLY . 23.7 tp -46.47 -63.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -34.35 -55.48 0.75 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.492 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.517 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 53.7 t90 -47.41 -55.79 8.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.764 0.316 . . . . 0.0 110.931 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 81.4 m -57.49 -50.03 74.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -49.28 -38.7 28.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -78.83 -49.76 12.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -60.38 -62.48 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' ASP . 66.6 p -48.94 -43.66 39.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' THR . 7.2 t70 -36.71 133.48 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.02 -37.56 3.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -61.54 -178.62 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.913 0.387 . . . . 0.0 110.91 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.19 109.24 18.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.46 21.97 57.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.503 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.6 t -115.88 72.83 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 111.156 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -98.18 111.31 23.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.8 t -89.99 111.7 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.4 p -111.71 -39.04 4.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 36' ' ' SER . 5.4 m-20 -142.96 139.71 30.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.7 mt -75.67 48.26 0.45 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.2 p -135.03 -72.49 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' LYS . 32.0 mtp -84.98 -46.58 11.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 35' ' ' MET . 12.9 t -35.87 -33.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.527 ' CH2' HD22 ' A' ' 106' ' ' LEU . 48.6 m95 -93.91 -37.92 11.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.949 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 35' ' ' MET . 5.0 mtpm? -34.4 -40.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.3 p -60.38 -54.29 47.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.26 -39.79 2.21 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.524 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.481 HD11 ' HA ' ' A' ' 62' ' ' GLU . 97.7 mt -44.5 -65.23 0.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -39.27 -54.7 1.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.7 tp -56.56 -41.02 76.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 72.7 m -67.43 -34.73 77.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.24 -27.83 67.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.4 mm -65.64 -63.3 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.408 HG12 HD11 ' A' ' 80' ' ' LEU . 67.1 mt -57.51 -42.72 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 49' ' ' ARG . 33.2 t-80 -62.4 -49.69 74.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 48' ' ' HIS . 10.4 ttt85 -34.73 -59.88 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 113' ' ' PHE . 24.0 m-85 -78.86 -52.47 8.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 25.1 mtt-85 -123.82 96.25 43.21 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.602 0.715 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 53.3 Cg_endo -69.76 -27.23 26.73 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -59.34 -56.86 16.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 24.0 mt -40.4 -62.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.8 tt -115.77 132.6 64.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -93.96 96.73 9.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -70.96 -44.52 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.71 -34.46 52.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.2 m -74.8 -46.44 36.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.797 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.647 HD13 ' OD1' ' A' ' 68' ' ' ASN . 88.6 mt -53.93 166.33 0.37 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -138.08 147.24 43.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.481 ' HA ' HD11 ' A' ' 41' ' ' LEU . 11.3 pt-20 -56.81 -43.3 80.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.459 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 14.4 pt20 -56.83 -28.47 61.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -80.98 115.44 20.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.9 t -106.85 -67.4 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -50.98 -37.1 42.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 68' ' ' ASN . 46.4 tttt -66.2 -69.17 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.647 ' OD1' HD13 ' A' ' 60' ' ' LEU . 11.3 m-80 -34.89 -44.15 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -74.48 -58.21 3.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -43.07 -44.8 5.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.73 -68.04 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -40.5 -57.41 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -45.56 -34.24 3.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -86.15 -61.72 1.68 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.6 mm -45.1 -51.75 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -45.78 -73.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.073 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -46.23 59.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -44.0 -56.49 3.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -100.4 -64.61 1.03 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 76' ' ' ALA . 19.7 mt -50.6 -58.29 6.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 113.87 0.22 24.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.773 HG23 ' CD ' ' A' ' 108' ' ' GLN . 66.2 mt -78.56 98.4 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.843 0.354 . . . . 0.0 111.115 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.3 p -59.12 132.28 87.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.721 0.772 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.37 53.82 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.707 2.271 . . . . 0.0 112.345 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.6 pt -90.67 -22.62 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 67.9 mtm -144.83 168.33 20.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 88' ' ' GLY . 2.4 p -102.25 141.67 34.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.08 -50.74 1.21 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -55.54 -44.57 76.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 87' ' ' THR . 4.8 mm-40 -64.86 -35.92 82.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.456 ' O ' HG12 ' A' ' 94' ' ' VAL . 9.6 tpp -66.02 -48.74 70.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.63 -31.93 70.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.6 m -74.11 -55.39 6.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 91' ' ' MET . 7.4 p -49.83 149.54 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -79.67 -40.62 14.59 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -160.9 132.33 3.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 110.872 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 176.02 7.37 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.695 2.264 . . . . 0.0 112.316 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -101.94 124.99 48.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -39.35 -67.5 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 54.5 mt -42.53 -64.75 0.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 m -44.32 -55.99 4.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.811 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 93.0 mmm -52.95 -63.91 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 72.7 t -46.74 -64.13 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.177 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 9.4 mtm -42.66 -54.62 3.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -57.68 -66.61 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.527 HD22 ' CH2' ' A' ' 37' ' ' TRP . 61.1 mt -40.52 -50.01 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 106' ' ' LEU . 92.2 m -34.03 -57.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.773 ' CD ' HG23 ' A' ' 82' ' ' ILE . 63.1 mt-30 -34.9 -47.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -65.47 -50.27 65.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' A' ' 111' ' ' GLU . 1.0 OUTLIER -58.92 -62.57 1.78 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.84 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.563 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 7.9 mm-40 -44.63 -22.42 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.6 ttp -91.2 -31.01 16.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.517 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 24.2 m-85 -115.88 31.36 6.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.952 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.923 0.392 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -37.8 -47.6 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.48 HD21 ' HB2' ' A' ' 106' ' ' LEU . 23.8 tp -61.87 -51.99 65.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.435 ' CD1' HD21 ' A' ' 33' ' ' LEU . 20.0 tp -43.75 -56.38 3.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -37.97 -60.27 1.31 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.458 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.546 ' CE2' ' HG3' ' A' ' 21' ' ' GLN . 6.0 t90 -46.2 -71.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.73 ' O ' HG23 ' A' ' 22' ' ' THR . 84.4 m -33.9 -46.55 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.412 HE21 ' HB3' ' A' ' 19' ' ' GLN . 5.7 mt-30 -64.53 -49.49 71.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' TRP . 35.0 mtt85 -60.55 -47.9 84.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.579 ' N ' ' CD ' ' A' ' 21' ' ' GLN . 1.2 mm100 -66.5 -58.58 4.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 18' ' ' CYS . 59.1 p -51.52 -45.39 62.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 22' ' ' THR . 6.9 t70 -35.18 120.54 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.48 -33.42 3.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -65.54 -175.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.388 . . . . 0.0 110.92 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.21 108.23 14.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.066 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.82 19.5 59.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.521 ' O ' HG12 ' A' ' 28' ' ' VAL . 60.9 t -114.45 64.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.865 0.364 . . . . 0.0 111.177 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -89.15 110.42 21.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 81.2 t -89.16 108.38 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.5 p -119.65 -22.63 6.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -135.34 170.51 15.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.435 HD21 ' CD1' ' A' ' 15' ' ' LEU . 78.4 mt -116.12 28.77 8.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.9 p -132.08 -59.34 0.94 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.47 ' O ' ' N ' ' A' ' 37' ' ' TRP . 8.3 mmt -87.04 -48.67 7.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.8 t -40.14 -25.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.47 ' N ' ' O ' ' A' ' 35' ' ' MET . 69.7 m95 -100.45 -33.77 10.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 35' ' ' MET . 3.2 mtpt -38.23 -35.74 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.401 ' HA ' HG13 ' A' ' 65' ' ' VAL . 16.4 p -65.11 -54.81 24.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.816 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.33 -40.71 2.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.468 HD23 ' ND2' ' A' ' 68' ' ' ASN . 92.6 mt -39.3 -66.87 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -33.79 -67.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.059 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.5 tp -44.06 -39.78 4.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' LEU . 27.1 m -69.41 -39.18 78.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.44 -27.47 69.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.5 mm -66.21 -62.51 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.434 HG23 HD12 ' A' ' 54' ' ' LEU . 80.6 mt -54.37 -45.27 68.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 49' ' ' ARG . 43.1 t-80 -66.67 -47.18 73.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 48' ' ' HIS . 26.7 tpt85 -34.28 -48.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -98.68 -48.04 5.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.404 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 17.8 mtt85 -120.56 96.05 48.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.652 0.739 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 53.8 Cg_endo -69.79 -29.92 22.97 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.324 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' LEU . 8.3 t70 -56.27 -64.25 0.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.434 HD12 HG23 ' A' ' 47' ' ' ILE . 12.7 mt -37.07 -62.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.412 ' O ' HG23 ' A' ' 55' ' ' ILE . 5.9 tt -116.72 129.47 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -99.04 97.32 8.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.425 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 32.2 t80 -65.41 -38.22 89.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -45.15 -45.66 11.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -70.0 -53.56 17.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.791 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 75.4 mt -51.84 154.28 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -127.91 179.62 5.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -85.03 -24.58 28.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -72.94 -28.46 62.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -79.25 115.43 18.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.401 HG13 ' HA ' ' A' ' 39' ' ' SER . 47.3 t -105.13 -64.3 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -56.57 -42.42 78.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -61.3 -62.33 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.468 ' ND2' HD23 ' A' ' 41' ' ' LEU . 3.7 m120 -41.42 -30.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -85.46 -64.14 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -39.97 -40.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.7 tp -64.86 -67.81 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.15 -52.29 7.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -51.92 -30.65 25.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -87.89 -64.03 1.21 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 16.5 mm -45.09 -49.94 2.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -44.55 -73.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -53.69 -43.15 68.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -45.04 -52.65 8.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -106.38 -63.34 1.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 76' ' ' ALA . 33.5 mt -51.05 -51.87 48.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.89 -7.39 29.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.668 HG23 ' OE1' ' A' ' 108' ' ' GLN . 89.5 mt -73.62 103.6 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.337 . . . . 0.0 111.115 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.6 m -66.72 131.43 94.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.652 0.739 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 131.61 21.56 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.706 2.27 . . . . 0.0 112.33 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.4 pt -75.18 -22.49 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 7.2 ptp -146.21 167.16 24.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 90' ' ' GLU . 71.9 p -100.5 139.11 36.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.51 -38.09 0.25 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -64.26 -44.8 90.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.739 0.304 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 87' ' ' THR . 5.6 mm-40 -65.77 -21.0 66.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.7 tpp -85.31 -29.83 24.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.53 -38.11 35.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.8 t -74.27 -55.39 6.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.4 p -50.41 135.04 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.5 -41.43 99.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.455 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -160.87 138.3 6.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.623 0.725 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -171.9 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.718 2.278 . . . . 0.0 112.352 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.85 122.37 47.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.632 ' O ' HG23 ' A' ' 103' ' ' VAL . 2.4 tmmm? -40.69 -54.38 2.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.8 mt -54.37 -73.5 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.6 m -39.32 -52.13 2.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 87.9 mmm -53.77 -62.29 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 99' ' ' LYS . 91.2 t -50.32 -53.13 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 75.9 mtp -51.72 -62.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -46.92 -62.65 1.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.48 ' HB2' HD21 ' A' ' 14' ' ' LEU . 17.5 mt -45.57 -48.04 14.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.961 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 106' ' ' LEU . 19.1 m -34.86 -39.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.668 ' OE1' HG23 ' A' ' 82' ' ' ILE . 70.2 mt-30 -52.75 -51.81 59.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -61.64 -58.64 7.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.534 ' HA ' ' CZ3' ' A' ' 17' ' ' TRP . 3.2 t80 -45.32 -62.7 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.945 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -54.37 -19.23 5.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 9.9 tpp -78.32 -33.99 48.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -126.34 31.91 5.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 12.8 pttp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.969 0.414 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.05 -43.29 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.1 tp -58.72 -55.43 35.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.769 ' HB2' HD11 ' A' ' 33' ' ' LEU . 14.5 tp -39.56 -55.2 1.88 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.32 -60.82 3.92 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 37.7 t90 -37.53 -49.51 1.07 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.777 0.322 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.3 m -63.66 -43.55 96.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -58.26 -42.58 86.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -75.23 -44.33 46.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -63.82 -60.81 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 23' ' ' ASP . 79.8 p -53.92 -37.66 64.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 22' ' ' THR . 28.1 t70 -34.15 112.66 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.77 -35.13 1.81 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.453 ' HB3' ' CG2' ' A' ' 28' ' ' VAL . 44.7 m-85 -82.77 164.57 20.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.908 0.385 . . . . 0.0 110.885 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.7 122.39 33.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.13 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.406 ' O ' ' OD1' ' A' ' 29' ' ' ASN . . . 81.44 -34.36 2.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.523 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.473 ' O ' ' C ' ' A' ' 29' ' ' ASN . 91.6 t -48.81 -23.81 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.362 . . . . 0.0 111.153 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.473 ' C ' ' O ' ' A' ' 28' ' ' VAL . 8.2 p-10 -31.62 98.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.1 t -69.33 125.26 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 34.6 p -115.65 -39.38 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.18 -175.86 3.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 15' ' ' LEU . 29.4 mt -126.56 29.38 5.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -133.83 -56.9 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.3 mtp -92.03 -35.22 14.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.8 p -44.03 -33.55 1.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.459 ' O ' ' C ' ' A' ' 38' ' ' LYS . 50.2 m95 -94.45 -36.26 11.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 37' ' ' TRP . 5.3 mtpm? -33.52 -38.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.466 ' HA ' HG13 ' A' ' 65' ' ' VAL . 20.4 p -64.59 -60.52 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.41 -41.7 1.52 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.4 mt -40.18 -57.65 1.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.15 -67.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.445 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 48.6 tp -45.24 -42.31 9.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 60.4 m -64.36 -41.96 96.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.61 -29.29 70.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.6 mm -64.18 -50.36 77.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.667 HG12 HD11 ' A' ' 80' ' ' LEU . 67.3 mt -68.93 -39.74 80.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.577 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 7.3 t-80 -66.35 -53.86 31.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.818 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 48' ' ' HIS . 21.3 tpp180 -33.34 -51.5 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 113' ' ' PHE . 10.8 m-85 -86.79 -50.93 6.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -127.07 96.23 34.85 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.581 0.705 . . . . 0.0 110.851 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.577 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.72 -37.74 8.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.363 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.475 ' CG ' ' N ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -50.41 -50.88 50.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.475 ' N ' ' CG ' ' A' ' 53' ' ' ASP . 47.1 mt -48.44 -67.29 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.5 tt -112.4 134.46 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -100.6 106.93 18.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -71.83 -51.8 20.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 58' ' ' ASP . 20.1 t0 -47.01 -44.08 20.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 p -61.28 -43.84 98.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.819 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.458 HD13 ' OD1' ' A' ' 68' ' ' ASN . 93.8 mt -61.39 159.68 12.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -129.48 126.1 37.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 63' ' ' GLN . 12.1 pt-20 -40.43 -45.62 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 16.1 mm-40 -48.01 -44.66 31.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.481 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 15.9 m-20 -73.01 111.57 8.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.466 HG13 ' HA ' ' A' ' 39' ' ' SER . 71.2 t -93.94 -65.47 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -49.85 -54.53 18.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -44.71 -65.68 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 64' ' ' ASN . 6.4 m-80 -38.88 -42.36 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -72.53 -63.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -39.54 -46.23 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.9 tp -58.57 -69.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.78 -58.58 2.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.414 ' CD1' ' HB3' ' A' ' 84' ' ' PRO . 11.6 m-85 -43.23 -34.63 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.4 ' OD2' ' HD2' ' A' ' 78' ' ' LYS . 6.8 t70 -84.61 -61.16 1.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 51.0 mm -46.65 -53.53 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.437 ' CB ' HD12 ' A' ' 80' ' ' LEU . . . -47.72 -67.41 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.413 ' HA ' ' N ' ' A' ' 82' ' ' ILE . 52.6 tt0 -53.21 -38.47 62.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.4 ' HD2' ' OD2' ' A' ' 74' ' ' ASP . 13.8 mtpp -55.35 -55.67 28.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -99.39 -69.14 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.667 HD11 HG12 ' A' ' 47' ' ' ILE . 32.2 mt -45.24 -40.74 7.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.27 26.34 28.53 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.508 HG23 ' OE1' ' A' ' 108' ' ' GLN . 87.2 mt -105.96 99.82 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 111.085 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.9 t -55.22 132.96 69.27 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.697 0.761 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.414 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 53.6 Cg_endo -69.79 143.46 50.79 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.657 2.238 . . . . 0.0 112.357 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.487 HG13 ' N ' ' A' ' 86' ' ' MET . 37.9 pt -84.67 -37.66 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.487 ' N ' HG13 ' A' ' 85' ' ' ILE . 71.1 mtm -135.68 166.17 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 32.4 p -95.44 148.02 22.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -43.2 -48.34 6.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.437 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -60.5 -47.05 87.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.744 0.307 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.472 ' O ' HG12 ' A' ' 94' ' ' VAL . 15.7 mt-10 -62.5 -38.06 88.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.405 ' O ' HG12 ' A' ' 94' ' ' VAL . 1.1 tpt -62.57 -42.94 99.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.17 -36.56 54.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.7 t -67.66 -47.24 70.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.472 HG12 ' O ' ' A' ' 90' ' ' GLU . 13.6 p -57.52 141.22 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -72.16 -42.93 49.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -159.01 129.63 3.62 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.608 0.718 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -176.36 1.48 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.646 2.231 . . . . 0.0 112.33 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 99' ' ' LYS . 10.6 t0 -104.96 120.42 41.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 98' ' ' ASP . 4.0 tmtm? -37.94 -53.04 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.7 mt -56.1 -65.74 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.1 m -43.89 -51.37 7.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 89.6 mmm -55.24 -58.38 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.401 ' CG2' ' HD3' ' A' ' 99' ' ' LYS . 72.8 t -54.68 -61.4 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 38.1 mtt -43.97 -51.25 7.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.429 ' CD1' HG23 ' A' ' 85' ' ' ILE . 80.5 t80 -57.53 -66.39 0.47 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 107' ' ' THR . 26.6 mt -44.98 -51.17 10.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.956 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 106' ' ' LEU . 98.5 m -31.35 -44.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.508 ' OE1' HG23 ' A' ' 82' ' ' ILE . 51.7 mt-30 -49.29 -56.16 10.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.445 ' CZ ' HD11 ' A' ' 43' ' ' LEU . 91.1 m-85 -54.28 -56.82 14.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.403 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 2.0 t80 -51.51 -61.2 2.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.403 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 18.3 mt-10 -51.42 -29.14 14.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 24.7 ttm -75.67 -46.36 31.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.56 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 32.9 m-85 -107.78 37.17 2.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 47.1 pttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.917 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 13' ' ' LYS . 2.4 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.937 0.398 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 12' ' ' SER . 41.7 mmtt -34.34 -39.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.4 tp -66.53 -57.01 8.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.948 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' GLY . 50.5 tp -44.1 -63.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -36.05 -59.62 0.92 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 52.5 t90 -46.0 -57.58 4.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.745 0.307 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.8 m -56.92 -39.85 75.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -58.24 -42.34 86.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -76.54 -45.23 31.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -62.88 -60.47 3.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.409 ' CG2' HD11 ' A' ' 46' ' ' ILE . 58.0 p -53.5 -36.84 62.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -41.09 133.56 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.807 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.22 -36.83 3.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.53 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.542 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 14.7 m-85 -59.1 -175.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.912 0.386 . . . . 0.0 110.928 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -109.35 122.47 47.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.95 34.82 80.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.752 ' O ' HG12 ' A' ' 28' ' ' VAL . 53.4 t -120.81 67.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 111.169 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -91.55 96.96 10.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.3 t -79.65 96.39 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.176 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.0 t -104.84 -29.84 10.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -115.27 -174.97 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.2 mt -128.88 16.67 6.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.422 HG22 ' HG2' ' A' ' 97' ' ' PRO . 0.7 OUTLIER -130.88 -58.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.2 ptp -87.42 -27.44 22.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.4 t -56.68 -30.99 64.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.474 ' O ' ' N ' ' A' ' 40' ' ' GLY . 61.2 m95 -95.55 -29.19 14.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 37' ' ' TRP . 15.3 mtpt -36.53 -41.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.08 -44.55 91.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 37' ' ' TRP . . . 111.11 -43.66 1.67 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.505 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.736 HD21 ' HA ' ' A' ' 62' ' ' GLU . 79.8 mt -38.1 -66.13 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.808 0.337 . . . . 0.0 110.895 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -37.12 -61.76 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.6 tp -48.51 -42.1 32.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 65.7 m -68.43 -37.0 79.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.542 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -66.05 -29.34 69.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.409 HD11 ' CG2' ' A' ' 22' ' ' THR . 49.2 mm -66.11 -62.27 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.811 HG12 HD11 ' A' ' 80' ' ' LEU . 53.3 mt -56.4 -47.31 81.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 29.4 t-80 -61.5 -47.21 86.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 48' ' ' HIS . 17.9 tpt180 -34.41 -55.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -89.34 -49.54 6.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.505 ' HB2' HD12 ' A' ' 54' ' ' LEU . 9.8 mmm180 -120.98 95.99 48.73 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.567 0.699 . . . . 0.0 110.858 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.558 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.83 -37.99 8.26 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -51.19 -59.36 4.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.77 HD22 ' HG3' ' A' ' 79' ' ' GLU . 44.3 mt -38.82 -65.15 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.447 HG23 ' O ' ' A' ' 55' ' ' ILE . 6.5 tt -114.25 128.52 71.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -94.97 105.65 17.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.476 ' HA ' HD12 ' A' ' 60' ' ' LEU . 24.7 t80 -75.86 -42.8 48.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -48.11 -47.28 34.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.6 t -65.56 -47.01 77.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.476 HD12 ' HA ' ' A' ' 57' ' ' PHE . 55.9 mt -54.32 148.06 12.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.472 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 9.6 m-20 -118.76 131.05 56.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.736 ' HA ' HD21 ' A' ' 41' ' ' LEU . 1.1 pm0 -44.58 -40.72 5.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.44 ' N ' ' HG2' ' A' ' 62' ' ' GLU . 5.5 mm-40 -55.47 -46.43 76.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.472 ' ND2' ' HB2' ' A' ' 61' ' ' ASP . 21.6 m-20 -66.45 116.21 7.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 77.6 t -102.04 -62.14 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -52.97 -41.61 64.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -60.07 -65.74 0.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 64' ' ' ASN . 9.0 m-80 -38.73 -40.05 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -74.43 -64.0 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -41.33 -42.55 2.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 48.3 tp -64.8 -67.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.951 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.71 -55.96 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -46.01 -39.67 9.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -79.27 -64.41 1.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.825 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.9 mm -43.82 -54.35 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -42.56 -67.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.05 -38.61 73.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt -54.27 -50.11 68.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.77 ' HG3' HD22 ' A' ' 54' ' ' LEU . 5.3 mm-40 -104.42 -65.01 1.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.811 HD11 HG12 ' A' ' 47' ' ' ILE . 28.2 mt -51.54 -42.6 61.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 103.24 -18.88 47.59 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.597 HG23 ' CD ' ' A' ' 108' ' ' GLN . 71.2 mt -63.33 103.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.9 t -64.41 131.37 95.04 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.632 0.73 . . . . 0.0 110.841 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 127.08 14.11 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.258 . . . . 0.0 112.327 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.491 HG23 ' CD1' ' A' ' 105' ' ' TYR . 42.5 pt -63.0 -33.1 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.423 ' N ' HG13 ' A' ' 85' ' ' ILE . 5.6 ptp -146.54 170.14 17.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 49.8 p -92.62 145.21 24.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -38.55 -44.05 1.69 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.455 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.405 ' C ' ' HD2' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -56.57 -51.95 66.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.704 0.288 . . . . 0.0 110.874 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.503 ' O ' HG12 ' A' ' 94' ' ' VAL . 8.6 mm-40 -58.13 -37.04 73.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.3 tpt -67.58 -34.85 77.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.23 -39.98 38.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.7 p -68.83 -53.68 20.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 90' ' ' GLU . 12.9 p -50.73 134.65 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.05 -35.95 91.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.44 ' H ' HG22 ' A' ' 94' ' ' VAL . 31.7 tt0 -167.33 132.53 1.64 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 110.921 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.422 ' HG2' HG22 ' A' ' 34' ' ' THR . 54.2 Cg_endo -69.77 178.51 4.5 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.36 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 99' ' ' LYS . 22.5 t70 -101.28 117.33 34.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.803 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.487 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.1 OUTLIER -34.26 -52.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.5 mt -52.05 -64.27 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.1 p -47.22 -54.77 9.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 85.1 mmm -51.89 -55.76 18.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 99' ' ' LYS . 84.2 t -56.52 -63.22 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 21.7 mtm -44.9 -52.65 8.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.491 ' CD1' HG23 ' A' ' 85' ' ' ILE . 82.2 t80 -59.57 -62.96 1.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 49.6 mt -44.03 -45.39 7.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 92.3 m -39.16 -48.29 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.597 ' CD ' HG23 ' A' ' 82' ' ' ILE . 52.9 mt-30 -44.96 -43.42 9.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -67.71 -50.52 57.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.408 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 2.0 t80 -55.46 -61.81 2.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.408 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 11.4 mm-40 -49.11 -28.25 4.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.3 ttm -68.18 -48.59 64.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -114.97 36.12 4.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 13' ' ' LYS . 7.9 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.944 0.402 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 12' ' ' SER . 14.6 mtpt -37.07 -50.7 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.555 HD21 ' HB2' ' A' ' 106' ' ' LEU . 12.8 tp -62.51 -51.61 66.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 16' ' ' GLY . 47.6 tp -42.0 -62.69 0.87 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -34.7 -56.37 0.79 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.506 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 52.3 t90 -46.24 -55.09 7.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.754 0.312 . . . . 0.0 110.957 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.7 m -58.74 -47.58 84.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -57.84 -21.08 40.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -93.1 -45.17 8.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -71.23 -54.34 11.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.1 p -60.93 -12.61 11.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -59.17 122.65 14.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.93 -37.35 2.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -65.03 167.83 7.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.932 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -110.14 133.22 53.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.084 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.23 -31.79 4.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.513 HG12 HG23 ' A' ' 30' ' ' VAL . 49.6 t -60.21 -69.24 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.819 0.343 . . . . 0.0 111.118 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 28' ' ' VAL . 6.2 p-10 35.82 52.03 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.513 HG23 HG12 ' A' ' 28' ' ' VAL . 24.2 t -40.39 114.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.8 t -123.92 5.43 8.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -162.62 179.05 8.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.701 HD13 HG22 ' A' ' 103' ' ' VAL . 87.8 mt -118.09 22.55 12.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.9 p -128.25 -74.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.3 mtp -74.05 -42.59 60.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 m -44.35 -29.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.47 ' CH2' HD22 ' A' ' 106' ' ' LEU . 61.0 m95 -98.95 -33.81 10.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 37' ' ' TRP . 5.0 mtpm? -35.3 -53.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.534 ' HA ' HG13 ' A' ' 65' ' ' VAL . 17.1 t -49.12 -47.69 45.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' TRP . . . 114.52 -37.14 3.65 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.487 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.483 HD11 ' HA ' ' A' ' 62' ' ' GLU . 85.3 mt -45.25 -45.37 11.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.12 -65.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.5 tp -50.97 -47.71 61.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.3 m -57.75 -38.89 76.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.36 -17.63 64.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.8 mm -80.14 -40.33 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.456 HG12 HD11 ' A' ' 80' ' ' LEU . 66.2 mt -74.53 -40.83 48.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -71.57 -45.31 62.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -38.1 -46.68 1.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -93.97 -50.95 5.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 mtt85 -123.05 94.96 46.64 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.579 0.704 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 55' ' ' ILE . 53.1 Cg_endo -69.75 -18.45 37.07 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.312 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.487 ' CG ' ' N ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -68.95 -51.59 38.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.487 ' N ' ' CG ' ' A' ' 53' ' ' ASP . 12.8 mt -48.02 -60.99 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.4 ' O ' ' O ' ' A' ' 52' ' ' PRO . 5.1 tt -115.91 151.35 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -117.0 107.03 14.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -74.63 -48.93 23.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -44.42 -39.91 5.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.6 t -73.08 -46.29 52.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.437 HD13 ' OD1' ' A' ' 68' ' ' ASN . 71.9 mt -56.15 163.1 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -133.83 156.05 48.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.483 ' HA ' HD11 ' A' ' 41' ' ' LEU . 5.7 pt-20 -66.95 -43.71 82.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -52.55 -44.62 65.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -68.38 115.21 7.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.534 HG13 ' HA ' ' A' ' 39' ' ' SER . 26.1 t -104.75 -64.92 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 89' ' ' LYS . 22.9 tt0 -53.06 -45.06 67.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -56.15 -66.09 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.437 ' OD1' HD13 ' A' ' 60' ' ' LEU . 12.2 m-80 -38.36 -45.17 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -68.22 -62.02 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -40.95 -40.04 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.3 tp -65.59 -65.27 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.52 -51.81 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -52.31 -28.59 19.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -87.97 -58.55 2.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.8 mm -53.01 -51.51 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -47.78 -68.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -55.99 -33.78 65.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -59.42 -48.46 81.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -106.95 -63.72 1.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 76' ' ' ALA . 30.2 mt -52.72 -35.7 56.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.19 -8.06 80.69 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.542 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 94.8 mt -68.1 109.05 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.342 . . . . 0.0 111.143 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t -63.97 132.71 95.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.65 0.738 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 152.03 69.2 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.458 HG23 ' CD1' ' A' ' 105' ' ' TYR . 30.8 pt -95.7 -21.89 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.0 ptp -162.46 160.82 26.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 90' ' ' GLU . 29.6 p -87.01 143.26 27.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.51 -44.33 0.86 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 15.3 tttt -62.53 -45.26 93.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.74 0.305 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.544 ' O ' HG12 ' A' ' 94' ' ' VAL . 9.1 mm-40 -65.79 -17.05 64.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.4 tpp -91.14 -29.01 17.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.98 -5.22 51.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.2 m -108.03 -38.7 5.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.801 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 90' ' ' GLU . 2.4 p -52.88 -15.43 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.71 -38.89 2.34 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -166.27 130.92 1.74 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.669 0.747 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.424 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 53.5 Cg_endo -69.79 -172.09 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.731 2.287 . . . . 0.0 112.331 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -118.23 125.84 50.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.64 ' O ' HG23 ' A' ' 103' ' ' VAL . 39.1 tptt -40.93 -51.49 3.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.5 mt -54.95 -72.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 t -41.83 -51.93 4.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.424 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 89.0 mmm -53.83 -65.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.701 HG22 HD13 ' A' ' 33' ' ' LEU . 85.7 t -47.59 -61.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 9.3 mtt -49.25 -69.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.458 ' CD1' HG23 ' A' ' 85' ' ' ILE . 62.7 t80 -39.54 -50.88 2.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.555 ' HB2' HD21 ' A' ' 14' ' ' LEU . 58.9 mt -57.7 -49.28 77.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 106' ' ' LEU . 93.3 m -36.71 -35.31 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -56.87 -49.11 76.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -64.69 -43.53 93.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.449 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 3.1 t80 -60.87 -67.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.449 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 36.2 mt-10 -44.5 -30.74 0.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 29.0 tpp -73.97 -37.48 64.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 110' ' ' TYR . 28.0 m-85 -109.72 23.12 14.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.0 pttp . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.951 0.405 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.33 -45.35 17.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.633 HD21 ' HB2' ' A' ' 106' ' ' LEU . 41.1 tp -64.49 -54.17 36.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.8 tp -41.69 -56.03 2.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.52 -52.56 6.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.476 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 50.6 t90 -51.35 -52.9 41.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.727 0.299 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.759 ' O ' HG23 ' A' ' 22' ' ' THR . 63.6 m -59.42 -43.51 93.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -59.97 -48.51 81.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 20' ' ' ARG . 5.8 mmm180 -65.9 -50.74 63.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -61.73 -61.57 2.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.759 HG23 ' O ' ' A' ' 18' ' ' CYS . 45.2 p -49.28 -43.28 43.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -40.23 110.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.04 -27.51 2.78 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -72.53 -179.88 3.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.905 0.383 . . . . 0.0 110.913 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -103.24 133.99 47.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 51.73 30.46 28.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.565 ' O ' HG12 ' A' ' 28' ' ' VAL . 79.1 t -120.87 76.55 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 111.109 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -102.15 99.78 9.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.1 t -83.06 92.62 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 t -104.84 12.22 32.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -166.99 -175.03 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.418 HD13 HG22 ' A' ' 103' ' ' VAL . 26.6 mt -125.89 31.09 5.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.2 p -133.74 -74.46 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.2 ptm -81.5 -22.04 38.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.3 m -59.92 -24.92 64.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.427 ' O ' ' C ' ' A' ' 38' ' ' LYS . 36.6 m95 -106.94 -28.24 10.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 37' ' ' TRP . 7.7 mtpm? -36.47 -47.69 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.9 t -49.43 -53.76 21.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.51 -29.7 6.02 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 42' ' ' ALA . 89.1 mt -55.06 -63.7 1.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.797 0.332 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -36.54 -62.53 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.6 tp -46.96 -42.46 17.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 71.4 m -70.98 -30.47 66.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.75 -22.14 63.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.8 mm -74.0 -62.33 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.587 HG12 HD11 ' A' ' 80' ' ' LEU . 81.5 mt -54.64 -42.16 59.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 45.2 t-80 -68.35 -47.42 67.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' HIS . 19.1 tpt85 -37.0 -50.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -88.69 -52.83 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -121.27 95.74 48.39 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.648 0.737 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.578 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.79 -11.94 31.82 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -73.18 -55.57 6.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.618 ' CD1' HD21 ' A' ' 80' ' ' LEU . 14.3 mt -44.21 -58.73 2.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.6 tt -122.0 142.75 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -109.36 105.96 15.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -74.33 -44.9 50.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -48.27 -39.31 21.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.4 t -74.4 -43.96 54.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.9 mt -57.38 158.93 5.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.426 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 1.8 m-20 -127.59 150.92 49.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -67.11 -38.49 85.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -55.71 -26.19 43.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.426 ' ND2' ' HB2' ' A' ' 61' ' ' ASP . 31.5 m-20 -89.98 115.24 27.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 96.5 t -102.21 -67.46 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -48.31 -35.67 12.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 68' ' ' ASN . 38.4 tptt -65.7 -71.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 67' ' ' LYS . 8.7 m-80 -35.42 -38.09 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -75.18 -62.19 1.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.415 ' C ' ' CD ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -45.11 -49.54 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.6 tp -52.27 -67.22 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.66 -54.8 3.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -47.91 -33.17 7.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -86.42 -59.93 2.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 30.4 mm -47.66 -52.77 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -43.17 -72.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -53.19 -45.45 68.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -44.55 -57.57 3.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -98.91 -63.76 1.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.618 HD21 ' CD1' ' A' ' 54' ' ' LEU . 19.6 mt -52.47 -53.51 44.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 109.68 -9.31 32.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.689 HG23 ' OE1' ' A' ' 108' ' ' GLN . 97.4 mt -70.35 110.94 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 111.197 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t -66.96 131.92 93.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.654 0.74 . . . . 0.0 110.837 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 157.04 61.64 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.619 HD12 ' OG ' ' A' ' 101' ' ' SER . 18.0 pt -99.08 -32.92 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.072 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.458 ' SD ' ' CG1' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -134.22 173.72 11.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 90' ' ' GLU . 1.3 p -112.54 145.13 40.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -35.89 -45.15 0.79 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.497 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.4 tptp -63.07 -43.39 98.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.713 0.292 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 87' ' ' THR . 28.6 mm-40 -69.36 -16.14 63.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.5 ttt -92.28 -26.13 18.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -86.81 -27.23 23.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.059 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.3 m -86.39 -51.22 6.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.4 p -52.08 136.24 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.52 -40.49 90.96 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.417 ' CG ' ' HD2' ' A' ' 97' ' ' PRO . 25.4 tt0 -159.8 137.65 7.28 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.619 0.723 . . . . 0.0 110.894 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.492 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 53.7 Cg_endo -69.73 169.23 19.36 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -93.87 121.19 35.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -39.29 -52.6 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 82.5 mt -53.72 -73.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.619 ' OG ' HD12 ' A' ' 85' ' ' ILE . 1.2 t -39.29 -51.91 2.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.492 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 88.5 mmm -53.77 -64.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.418 HG22 HD13 ' A' ' 33' ' ' LEU . 77.2 t -52.3 -61.78 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 40.1 mtp -47.61 -44.51 26.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.514 ' CD1' HG23 ' A' ' 85' ' ' ILE . 34.6 t80 -64.67 -66.67 0.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.633 ' HB2' HD21 ' A' ' 14' ' ' LEU . 49.1 mt -43.01 -43.72 4.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 98.7 m -40.59 -41.84 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.689 ' OE1' HG23 ' A' ' 82' ' ' ILE . 62.2 mt-30 -50.84 -43.18 59.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -69.36 -46.59 66.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.489 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 2.1 t80 -58.21 -65.61 0.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.489 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 16.3 mm-40 -43.09 -34.62 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 60.2 ttm -75.08 -43.25 54.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.476 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 22.8 m-85 -105.06 34.73 3.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.1 pttp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.934 0.397 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -45.93 -43.17 13.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.512 HD21 ' HB2' ' A' ' 106' ' ' LEU . 55.8 tp -67.3 -55.2 14.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.503 ' HB2' HD21 ' A' ' 33' ' ' LEU . 41.1 tp -40.79 -50.66 3.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.58 -50.07 14.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.457 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.481 ' CZ2' ' HG3' ' A' ' 21' ' ' GLN . 62.6 t90 -55.15 -43.42 74.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.745 0.307 . . . . 0.0 110.929 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.42 ' O ' HG23 ' A' ' 22' ' ' THR . 66.1 m -64.33 -39.91 94.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -66.09 -29.75 70.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -85.25 -40.63 16.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.481 ' HG3' ' CZ2' ' A' ' 17' ' ' TRP . 34.6 mm-40 -72.46 -50.04 29.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 18' ' ' CYS . 27.4 p -72.73 2.98 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -69.7 122.48 19.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.13 -37.66 2.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.442 ' OH ' ' N ' ' A' ' 49' ' ' ARG . 32.9 m-85 -60.49 175.94 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.378 . . . . 0.0 110.931 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.82 130.29 55.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.64 -32.51 4.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 29' ' ' ASN . 98.9 t -61.86 -69.1 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 111.15 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 28' ' ' VAL . 44.2 t30 34.83 52.66 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.439 HG23 HG12 ' A' ' 28' ' ' VAL . 42.9 t -38.85 126.78 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.5 -38.02 1.36 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -105.24 -175.83 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.503 HD21 ' HB2' ' A' ' 15' ' ' LEU . 65.7 mt -124.35 4.97 8.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.5 p -119.24 -75.31 0.58 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.532 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 73.4 mtp -71.2 -28.43 64.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.0 t -47.37 -24.06 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.76 ' CH2' HD22 ' A' ' 106' ' ' LEU . 4.8 m95 -112.69 -13.06 13.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.532 ' CG ' ' HA ' ' A' ' 35' ' ' MET . 7.6 mmmt -47.37 -31.84 4.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.7 p -78.99 -32.08 45.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.65 -36.24 4.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.527 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.7 mt -41.67 -49.22 4.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 110.949 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.77 -64.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 43' ' ' LEU . 7.3 tp -50.06 -40.87 46.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 68' ' ' ASN . 88.0 m -68.51 -35.99 78.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.25 -31.39 70.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.064 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.09 -58.5 7.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.527 HG12 HD11 ' A' ' 80' ' ' LEU . 39.2 mt -57.4 -44.57 84.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.439 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 11.6 t-80 -62.29 -51.25 68.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.444 ' C ' ' HD3' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -36.37 -62.44 0.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -75.95 -46.97 27.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -128.45 94.7 34.85 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.439 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.81 -24.62 29.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.326 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -45.42 88.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 29.6 mt -52.51 -59.01 4.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.9 tt -125.44 140.76 47.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -102.6 123.04 45.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -88.6 -38.22 15.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.51 -31.99 69.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 m -77.2 -42.73 36.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.531 HD13 ' OD1' ' A' ' 68' ' ' ASN . 73.4 mt -57.79 175.48 0.19 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -154.04 133.89 13.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -45.87 -40.2 9.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -49.17 -47.83 45.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.403 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 1.0 OUTLIER -76.32 110.82 11.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 70.5 t -101.11 -51.91 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -63.38 -27.07 69.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 68' ' ' ASN . 41.2 tttt -74.53 -68.49 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.531 ' OD1' HD13 ' A' ' 60' ' ' LEU . 5.8 m-80 -34.81 -41.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -74.29 -63.54 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -41.34 -42.56 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.3 tp -61.71 -66.5 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.14 -56.29 4.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -43.96 -27.16 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -93.98 -58.42 2.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.9 mm -49.57 -49.99 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -47.46 -74.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.074 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.56 -44.84 62.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -44.33 -56.33 4.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -101.49 -63.2 1.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.527 HD11 HG12 ' A' ' 47' ' ' ILE . 29.2 mt -51.44 -51.88 51.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 109.46 -3.2 30.95 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.558 HD13 ' CD1' ' A' ' 109' ' ' PHE . 70.6 mt -74.21 104.92 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 111.157 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t -63.1 130.26 94.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.61 0.719 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 137.81 36.49 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.718 2.278 . . . . 0.0 112.355 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.8 pt -80.22 -26.99 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.153 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.6 ptp -152.81 171.98 17.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.0 p -97.73 145.32 26.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -38.26 -44.36 1.6 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -59.88 4.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.741 0.305 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -52.95 -21.23 4.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.3 tpt -83.7 -28.06 28.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.35 -35.11 23.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.123 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.4 p -71.93 -38.15 69.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.468 HG22 ' H ' ' A' ' 96' ' ' GLU . 9.6 p -67.52 153.37 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.26 -28.11 37.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.486 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.468 ' H ' HG22 ' A' ' 94' ' ' VAL . 15.1 tt0 -175.19 137.17 0.55 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 0.0 110.87 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 165.6 30.38 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.342 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -87.62 130.43 34.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -44.33 -62.65 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 85.1 mt -45.03 -67.04 0.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.6 p -43.26 -54.66 4.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 93.4 mmm -53.62 -64.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 76.6 t -43.7 -55.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.154 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 56.8 mtp -55.12 -69.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -41.87 -57.27 2.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.76 HD22 ' CH2' ' A' ' 37' ' ' TRP . 39.6 mt -52.63 -54.76 28.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 106' ' ' LEU . 96.7 m -33.9 -43.89 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -47.53 -49.28 26.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.558 ' CD1' HD13 ' A' ' 82' ' ' ILE . 65.8 m-85 -62.07 -36.35 81.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 114' ' ' LYS . 1.2 t80 -68.31 -56.07 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.415 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 45.6 mt-10 -58.59 -18.18 27.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 5.7 tpp -88.27 -24.09 23.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.426 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 25.0 m-85 -124.09 18.45 9.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 110' ' ' TYR . 14.1 ptmt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 13' ' ' LYS . 34.4 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.961 0.41 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 12' ' ' SER . 7.8 mtmp? -36.78 -42.74 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.515 HD21 ' HB2' ' A' ' 106' ' ' LEU . 20.0 tp -63.91 -58.26 7.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' GLY . 25.4 tp -37.59 -62.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -37.85 -63.32 0.89 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 71.7 t90 -40.78 -48.2 2.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.748 0.308 . . . . 0.0 110.908 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.693 ' O ' HG23 ' A' ' 22' ' ' THR . 38.1 m -63.68 -39.5 94.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -64.28 -49.12 73.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.8 mmt-85 -68.25 -45.29 73.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -63.42 -51.79 64.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 18' ' ' CYS . 44.4 p -67.09 -4.46 10.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.106 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -67.54 122.06 17.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.57 -23.31 6.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.494 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -73.14 171.2 13.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 0.0 110.915 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.11 118.01 35.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.116 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.26 19.21 79.77 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.699 ' O ' HG12 ' A' ' 28' ' ' VAL . 95.1 t -115.9 60.93 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.888 0.375 . . . . 0.0 111.147 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.418 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 2.4 t30 -89.34 79.86 6.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.0 112.4 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.0 t -126.66 -6.7 6.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.174 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -127.69 177.23 6.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.2 mt -120.61 11.26 11.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.6 p -132.46 -70.89 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 38' ' ' LYS . 26.4 mtm -66.48 -44.45 82.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 t -45.67 -22.33 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 53.0 m95 -105.23 -20.73 13.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.948 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 35' ' ' MET . 8.4 mtpm? -52.84 -42.56 65.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.4 p -59.42 -34.4 72.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.77 -43.22 1.72 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.513 HD23 ' OD1' ' A' ' 68' ' ' ASN . 91.3 mt -39.18 -68.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.814 0.34 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -34.14 -67.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.8 tp -43.97 -43.27 6.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.3 m -65.54 -37.71 87.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.38 -17.56 64.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.1 mm -79.24 -49.4 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.445 HG12 HD11 ' A' ' 80' ' ' LEU . 33.3 mt -67.84 -44.41 85.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.553 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 16.0 t-80 -63.5 -46.46 85.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' HIS . 21.7 tpt180 -35.64 -54.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' A' ' 113' ' ' PHE . 10.8 m-85 -86.51 -51.39 6.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.416 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 41.7 mtt85 -123.39 97.66 42.25 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.572 0.701 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.553 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.77 -14.33 35.9 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.644 2.229 . . . . 0.0 112.329 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -73.02 -59.56 2.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.6 mt -38.28 -53.29 1.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.9 tt -123.66 135.38 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -101.84 93.42 5.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -64.55 -54.12 37.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -43.17 -33.2 0.86 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 m -78.39 -47.21 18.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.7 mt -53.01 152.77 3.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -126.49 129.37 48.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -42.26 -37.76 1.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -61.7 -42.94 99.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -72.2 70.25 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 57.8 t -54.53 -75.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.403 ' HG3' ' HB2' ' A' ' 92' ' ' ALA . 2.8 mp0 -39.62 -58.08 1.37 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -40.85 -63.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.513 ' OD1' HD23 ' A' ' 41' ' ' LEU . 3.6 m-80 -42.24 -29.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 70' ' ' GLN . 69.4 m-80 -90.25 -66.54 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 69' ' ' ASN . 49.5 tp60 -37.88 -39.08 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.0 tp -65.45 -67.14 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.96 -48.57 32.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -51.75 -27.36 11.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -93.31 -60.02 1.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.7 mm -48.65 -49.07 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.192 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -50.74 -68.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -53.56 -38.22 63.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -55.79 -47.31 77.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -108.0 -67.54 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 76' ' ' ALA . 56.6 mt -47.7 -39.16 16.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 91.87 7.5 64.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.578 HG23 ' CD ' ' A' ' 108' ' ' GLN . 76.5 mt -87.03 103.87 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.907 0.385 . . . . 0.0 111.153 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t -59.88 133.18 89.55 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.652 0.739 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 138.01 36.82 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.315 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.404 HG23 ' CD1' ' A' ' 105' ' ' TYR . 35.9 pt -80.51 -29.19 11.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.8 ptp -153.73 166.5 32.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 31.1 p -89.81 154.84 19.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -47.61 -48.11 23.06 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.44 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.64 -58.58 7.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.722 0.296 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -50.37 -36.29 31.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 19.5 tpp -66.26 -36.14 82.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.403 ' HB2' ' HG3' ' A' ' 66' ' ' GLU . . . -76.72 -38.67 53.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.0 m -68.01 -52.88 30.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.532 HG22 ' H ' ' A' ' 96' ' ' GLU . 9.3 p -52.97 142.05 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.124 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -77.7 -24.27 65.29 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.514 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.532 ' H ' HG22 ' A' ' 94' ' ' VAL . 49.2 tt0 -169.03 126.9 0.86 Allowed Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.622 0.725 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.433 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 53.7 Cg_endo -69.75 144.21 53.35 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.688 2.258 . . . . 0.0 112.339 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 99' ' ' LYS . 10.9 t70 -58.3 109.39 0.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.815 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -34.42 -67.74 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 67.5 mt -40.55 -55.65 2.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.9 m -55.77 -41.32 73.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.486 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -62.55 -62.05 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.1 t -53.3 -51.21 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.5 mtt -56.55 -68.47 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.404 ' CD1' HG23 ' A' ' 85' ' ' ILE . 64.9 t80 -41.74 -48.18 4.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.515 ' HB2' HD21 ' A' ' 14' ' ' LEU . 81.6 mt -59.49 -51.0 71.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 106' ' ' LEU . 95.6 m -35.46 -50.58 0.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.578 ' CD ' HG23 ' A' ' 82' ' ' ILE . 31.8 mt-30 -41.17 -46.8 3.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -63.99 -61.49 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.439 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 1.1 t80 -46.08 -58.47 3.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.945 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.439 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 75.5 mt-10 -51.27 -23.41 3.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 1.4 tpt -78.23 -41.58 33.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.548 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 19.4 m-85 -115.61 35.95 4.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 13.6 pttm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 3' ' ' SER . 48.0 t -80.7 152.46 28.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.357 . . . . 0.0 110.853 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 2' ' ' SER . 20.4 m -35.73 128.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.893 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.57 -41.52 1.7 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.525 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -46.99 130.47 12.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 110.914 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 p -77.06 170.21 16.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.3 126.93 1.68 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.421 HG22 ' H ' ' A' ' 10' ' ' ARG . 7.2 p -147.19 135.43 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.0 111.134 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.74 -47.41 41.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.036 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.421 ' H ' HG22 ' A' ' 8' ' ' VAL . 3.1 tmm_? -40.89 137.44 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.607 ' HA ' HD23 ' A' ' 15' ' ' LEU . 2.4 m 63.17 53.32 2.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.2 m -53.75 148.6 9.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -49.25 -50.62 37.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.61 HD21 ' HB2' ' A' ' 106' ' ' LEU . 45.7 tp -57.34 -51.54 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.607 HD23 ' HA ' ' A' ' 11' ' ' SER . 33.3 tp -45.85 -61.34 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -37.5 -58.9 1.34 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.507 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 67.1 t90 -44.81 -54.74 6.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.727 0.298 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.498 ' O ' HG23 ' A' ' 22' ' ' THR . 61.7 m -59.43 -37.41 78.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -63.09 -29.47 70.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 20' ' ' ARG . 14.3 mtp-105 -88.8 -40.58 13.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -70.48 -53.79 14.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 18' ' ' CYS . 36.6 p -60.74 -20.91 62.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -50.37 129.1 21.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.93 -38.28 2.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.491 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.44 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 32.6 m-85 -61.09 -179.64 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.875 0.369 . . . . 0.0 110.912 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -120.66 127.69 52.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.87 -33.24 4.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.494 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.485 HG12 HG23 ' A' ' 30' ' ' VAL . 96.5 t -49.88 -68.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 111.094 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.708 ' O ' HG23 ' A' ' 31' ' ' THR . 9.0 t30 34.9 53.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.485 HG23 HG12 ' A' ' 28' ' ' VAL . 71.6 t -38.16 113.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 29' ' ' ASN . 70.0 p -112.88 -25.24 9.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -147.03 167.22 24.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' A' ' 15' ' ' LEU . 24.0 mt -106.2 35.42 2.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 p -134.45 -74.87 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.411 ' O ' ' N ' ' A' ' 38' ' ' LYS . 6.1 mtt -76.51 -50.97 12.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 t -40.06 -30.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.556 ' CD1' ' HA ' ' A' ' 33' ' ' LEU . 74.9 m95 -92.25 -36.53 13.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 35' ' ' MET . 4.2 mtmp? -39.97 -39.74 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.475 ' HA ' HG13 ' A' ' 65' ' ' VAL . 2.3 t -58.0 -43.48 86.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.49 -41.16 2.31 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.511 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.512 HD23 ' OD1' ' A' ' 68' ' ' ASN . 85.8 mt -41.63 -51.86 3.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.795 0.331 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.64 -64.96 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.64 HD11 ' CE2' ' A' ' 109' ' ' PHE . 15.4 tp -47.03 -46.38 21.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 60.8 m -60.88 -39.67 90.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.44 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -65.1 -16.9 63.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.1 mm -79.29 -54.82 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.0 mt -62.42 -45.12 99.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' ARG . 31.2 t-80 -62.25 -47.09 85.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 48' ' ' HIS . 24.2 tpt180 -36.48 -52.75 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 113' ' ' PHE . 5.4 m-85 -89.51 -52.2 5.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -119.62 94.61 48.63 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -23.88 30.1 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.639 2.226 . . . . 0.0 112.365 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.43 -59.0 5.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.1 mt -43.07 -56.91 3.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.8 tt -122.02 136.03 60.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -107.8 102.99 12.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -71.27 -49.16 45.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -43.31 -41.07 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.4 t -73.14 -49.41 28.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.8 mt -49.05 145.99 3.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -110.26 134.27 52.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 62' ' ' GLU . 1.6 pm0 -58.81 -11.86 3.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -77.75 -40.61 40.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -74.94 114.0 12.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.475 HG13 ' HA ' ' A' ' 39' ' ' SER . 99.3 t -96.67 -44.66 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -70.4 -35.8 73.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -65.25 -61.55 2.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.512 ' OD1' HD23 ' A' ' 41' ' ' LEU . 2.9 m-80 -40.93 -40.41 1.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -77.02 -62.21 1.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -41.35 -39.52 1.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.2 tp -63.23 -68.05 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.48 -53.43 6.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -48.69 -29.08 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -89.69 -58.83 2.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.2 mm -50.79 -52.6 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -45.03 -71.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -53.74 -42.8 68.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -47.1 -57.36 5.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -99.39 -62.44 1.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 76' ' ' ALA . 20.1 mt -53.58 -58.33 7.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 113.26 -3.61 25.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.728 HG23 ' CD ' ' A' ' 108' ' ' GLN . 50.9 mt -71.38 99.93 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.848 0.356 . . . . 0.0 111.128 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.5 t -58.52 134.26 85.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.666 0.746 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 141.01 44.16 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.297 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.2 pt -88.39 -27.27 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.8 ptp -149.49 152.25 35.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 46.0 p -76.95 158.19 30.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.152 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -56.59 -44.62 90.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -63.32 -36.74 84.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.743 0.306 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -73.15 -22.33 60.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.0 ttt -94.0 -18.94 21.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.87 -18.08 24.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.7 m -95.19 -46.88 6.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.9 p -48.56 139.94 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.78 -33.11 83.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -170.55 136.66 1.19 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.633 0.73 . . . . 0.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.432 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 54.2 Cg_endo -69.71 -174.72 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.698 2.265 . . . . 0.0 112.393 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 99' ' ' LYS . 24.8 t0 -107.5 116.91 32.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.851 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 98' ' ' ASP . 9.0 tmtt? -34.07 -60.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 52.3 mt -50.77 -72.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.7 m -38.63 -54.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.812 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.432 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 93.6 mmm -50.35 -65.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.9 t -48.65 -61.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 45.0 mtm -43.85 -51.8 7.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -60.63 -61.9 2.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.936 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.61 ' HB2' HD21 ' A' ' 14' ' ' LEU . 46.8 mt -43.14 -49.93 6.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 106' ' ' LEU . 6.7 m -35.31 -53.9 0.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.181 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.728 ' CD ' HG23 ' A' ' 82' ' ' ILE . 50.3 mt-30 -37.1 -49.69 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.64 ' CE2' HD11 ' A' ' 43' ' ' LEU . 56.9 m-85 -60.82 -55.01 38.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.527 ' CD1' ' N ' ' A' ' 111' ' ' GLU . 0.6 OUTLIER -52.99 -57.25 10.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.952 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.527 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 62.9 mm-40 -47.79 -22.24 0.51 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 26.9 tpp -92.4 -29.9 16.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.507 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 24.3 m-85 -113.84 23.88 12.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 110' ' ' TYR . 5.8 ptmm? -79.67 -42.22 25.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.1 p30 -131.39 41.16 3.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 117' ' ' GLY . 4.4 t -50.52 156.12 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 116' ' ' SER . . . -35.31 149.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -22.5 31.81 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.321 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.8 m -52.84 96.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 39.4 t -49.67 105.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.818 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.462 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.0 m -110.14 113.9 26.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.952 0.406 . . . . 0.0 110.829 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 t -102.82 85.95 2.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.36 77.04 0.52 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.453 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 t -127.4 113.14 15.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.928 0.394 . . . . 0.0 110.806 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.9 p -40.85 115.66 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.76 -170.8 15.64 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.445 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.658 HG12 ' O ' ' A' ' 8' ' ' VAL . 39.9 t 48.69 40.27 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.866 0.365 . . . . 0.0 111.166 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.39 155.22 12.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -131.77 177.09 7.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.585 ' HA ' HD23 ' A' ' 15' ' ' LEU . 73.6 m -44.04 130.71 5.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 13' ' ' LYS . 16.1 m -59.98 143.85 50.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 12' ' ' SER . 12.0 ttmt -36.53 -42.99 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.424 HD21 ' CB ' ' A' ' 106' ' ' LEU . 12.6 tp -73.82 -53.42 10.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.585 HD23 ' HA ' ' A' ' 11' ' ' SER . 39.0 tp -42.3 -53.59 4.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.48 -51.95 6.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.512 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 27.7 t90 -51.02 -55.97 14.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.746 0.308 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.436 ' O ' HG23 ' A' ' 22' ' ' THR . 72.8 m -56.36 -44.07 79.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -56.29 -46.61 79.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -69.45 -47.55 63.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -63.77 -65.09 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 18' ' ' CYS . 63.6 p -46.05 -38.42 7.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -43.38 128.24 4.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.25 -36.09 3.66 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -62.77 -176.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.968 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.51 119.28 36.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.0 32.13 69.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.524 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.3 t -124.27 80.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 111.111 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -105.47 113.53 27.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.5 t -100.79 106.65 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.2 p -103.09 -31.53 10.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -134.55 -176.12 4.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.551 HD12 ' HE3' ' A' ' 99' ' ' LYS . 15.0 mt -120.11 42.1 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.425 ' O ' ' CG ' ' A' ' 97' ' ' PRO . 19.9 p -134.73 -55.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.8 mtt -100.03 -33.77 10.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.2 m -43.33 -24.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.431 ' O ' ' C ' ' A' ' 38' ' ' LYS . 39.9 m95 -104.72 -33.14 8.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 37' ' ' TRP . 6.7 mtpm? -35.81 -39.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.3 p -58.91 -59.35 5.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.83 -39.86 1.84 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.533 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.502 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 25.5 mt -49.3 -63.68 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -35.92 -62.77 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.8 tp -51.56 -37.07 47.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' LEU . 69.2 m -72.02 -33.13 67.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.8 -19.85 64.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.2 mm -73.91 -59.88 2.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.439 HG12 HD11 ' A' ' 80' ' ' LEU . 21.0 mt -57.43 -43.37 82.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 9.1 t-80 -66.37 -50.11 64.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 48' ' ' HIS . 22.6 tpt180 -34.35 -48.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -93.78 -50.19 5.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -123.69 95.72 44.28 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.569 0.699 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.578 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.81 -18.63 36.64 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -69.12 -62.18 1.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.3 mt -38.7 -54.61 1.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.1 tt -121.07 134.84 63.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -102.99 95.38 6.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.502 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 27.8 t80 -66.04 -47.55 74.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -47.14 -46.2 23.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.6 t -66.92 -42.59 85.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.578 HD21 HD22 ' A' ' 71' ' ' LEU . 82.3 mt -56.81 164.29 1.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.485 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 7.9 t0 -139.65 132.6 29.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.43 -29.87 11.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -58.8 -48.59 80.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -72.07 73.14 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 95.1 t -58.95 -56.1 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -57.59 -50.16 74.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 69' ' ' ASN . 7.1 tmtm? -55.42 -68.13 0.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 61' ' ' ASP . 10.2 m-80 -35.65 -31.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 67' ' ' LYS . 56.6 m-80 -83.53 -60.8 2.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.449 ' HA ' ' NE2' ' A' ' 70' ' ' GLN . 1.6 tp-100 -44.35 -45.64 8.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.578 HD22 HD21 ' A' ' 60' ' ' LEU . 24.4 tp -51.21 -71.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.95 -57.69 3.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -44.5 -28.15 0.54 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -92.18 -60.85 1.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.9 mm -47.65 -49.75 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -48.14 -67.17 0.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.057 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -55.61 -36.07 66.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -56.98 -51.34 69.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -104.2 -68.94 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.439 HD11 HG12 ' A' ' 47' ' ' ILE . 43.5 mt -45.81 -38.28 7.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.34 9.18 62.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.459 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 69.6 mt -89.19 121.25 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.825 0.345 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.1 p -79.69 130.39 67.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.647 0.737 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 135.08 29.43 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.65 2.234 . . . . 0.0 112.302 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.4 pt -76.09 -20.12 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 61.9 mtm -149.54 175.01 11.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 88' ' ' GLY . 11.9 p -110.62 142.32 42.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.64 -50.39 0.75 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.39 -51.79 57.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.32 -33.51 73.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.4 tpp -69.77 -42.84 73.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.88 -30.68 62.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.9 m -76.13 -54.85 6.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.1 p -53.57 149.18 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.58 -41.78 9.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -157.78 127.54 3.28 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.602 0.715 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.425 ' CG ' ' O ' ' A' ' 34' ' ' THR . 53.3 Cg_endo -69.81 170.34 16.86 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.675 2.25 . . . . 0.0 112.32 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 99' ' ' LYS . 9.2 t70 -90.17 118.72 29.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.551 ' HE3' HD12 ' A' ' 33' ' ' LEU . 35.2 tptt -37.26 -60.6 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 57.3 mt -46.87 -68.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 m -41.83 -53.81 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 92.2 mmm -54.09 -64.29 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.434 HG22 HD13 ' A' ' 33' ' ' LEU . 75.9 t -44.68 -63.88 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 47.3 mtm -42.38 -54.18 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -58.43 -64.94 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.424 ' CB ' HD21 ' A' ' 14' ' ' LEU . 58.2 mt -41.38 -50.6 3.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 106' ' ' LEU . 53.0 m -35.53 -45.09 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -45.59 -51.54 11.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -59.91 -46.1 90.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.499 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 1.5 t80 -60.22 -61.94 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.499 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 24.9 mt-10 -51.72 -16.96 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 33.0 tpp -87.15 -36.64 17.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -119.22 35.36 4.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 115' ' ' ASP . 32.7 pttt -86.23 -36.5 19.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 116' ' ' SER . 1.3 p-10 -77.58 -45.21 25.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 115' ' ' ASP . 30.1 t -37.29 -49.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -63.54 171.39 15.08 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -42.29 3.48 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.68 2.254 . . . . 0.0 112.32 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 25.6 t -57.56 137.08 56.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.3 t -75.29 169.91 17.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.479 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -62.48 -59.29 5.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.912 0.387 . . . . 0.0 110.871 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 t -87.12 -57.35 3.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.33 -170.56 31.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 p -110.71 169.14 8.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 0.0 110.838 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 t -126.37 132.52 51.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.856 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.11 48.0 59.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.415 ' O ' ' C ' ' A' ' 9' ' ' ALA . 53.3 t -132.68 135.99 56.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.824 0.345 . . . . 0.0 111.104 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' VAL . . . -35.84 -54.4 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -48.59 159.54 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.575 ' HA ' HD23 ' A' ' 15' ' ' LEU . 17.7 p 45.17 53.8 7.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 13' ' ' LYS . 6.2 t -57.09 132.51 53.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 12' ' ' SER . 4.8 tppp? -37.45 -44.6 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 15' ' ' LEU . 6.8 tp -66.1 -56.31 12.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.575 HD23 ' HA ' ' A' ' 11' ' ' SER . 19.5 tp -34.82 -60.52 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 17' ' ' TRP . . . -39.6 -66.47 0.74 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.483 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.447 ' C ' ' O ' ' A' ' 16' ' ' GLY . 71.9 t90 -34.1 -51.46 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.732 0.301 . . . . 0.0 110.914 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.753 ' O ' HG23 ' A' ' 22' ' ' THR . 39.0 m -58.18 -48.34 80.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' GLY . 7.5 mt-30 -59.76 -50.53 73.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.482 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 1.5 mpt_? -59.99 -51.59 69.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -64.37 -63.46 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.753 HG23 ' O ' ' A' ' 18' ' ' CYS . 55.2 p -45.62 -37.35 5.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -45.55 123.79 4.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.02 -26.92 5.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.493 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.487 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 14.3 m-85 -71.85 -176.76 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 110.929 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.4 109.61 17.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.07 19.93 58.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.461 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.44 ' O ' HG12 ' A' ' 28' ' ' VAL . 59.2 t -118.96 70.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 111.096 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -94.56 106.93 18.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.0 t -85.63 103.77 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.43 HG23 ' OD2' ' A' ' 32' ' ' ASP . 11.1 t -119.93 -10.07 9.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.43 ' OD2' HG23 ' A' ' 31' ' ' THR . 8.5 m-20 -141.17 171.38 14.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.569 HD11 ' HB2' ' A' ' 15' ' ' LEU . 66.0 mt -117.4 18.33 14.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.8 p -120.59 -74.91 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.482 ' O ' ' N ' ' A' ' 38' ' ' LYS . 25.1 ptp -78.61 -36.81 43.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.4 t -39.86 -29.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.565 ' CH2' HD22 ' A' ' 106' ' ' LEU . 33.4 m95 -101.79 -25.0 13.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 35' ' ' MET . 7.9 mtpm? -45.57 -32.56 2.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 t -63.28 -52.14 63.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.35 -37.51 3.22 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 42' ' ' ALA . 47.7 mt -49.74 -64.46 0.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -34.57 -68.06 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tp -45.91 -41.18 11.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.424 ' HA ' HD13 ' A' ' 55' ' ' ILE . 61.9 m -65.35 -41.67 93.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.487 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -65.98 -16.8 64.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.5 mm -78.45 -50.04 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.26 -40.37 86.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.513 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 5.9 t-80 -70.54 -44.44 67.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' HIS . 9.5 tpt180 -35.24 -44.88 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -99.38 -48.36 4.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 14.3 mmm180 -124.05 95.27 44.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.513 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.82 -29.26 23.85 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -56.37 -54.12 49.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.0 mt -48.3 -62.67 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 44' ' ' CYS . 7.9 tt -116.45 132.41 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -100.33 106.75 18.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -76.94 -31.61 56.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -57.78 -47.1 83.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 t -70.17 -46.65 64.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.8 mt -48.68 149.19 1.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -115.8 158.1 23.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -81.26 -15.36 55.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -81.96 -29.11 32.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -84.93 116.35 23.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.1 t -99.38 -66.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -48.39 -32.87 8.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -68.46 -71.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -39.56 -32.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -79.44 -61.14 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -48.16 -36.13 12.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.0 tp -63.12 -68.74 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.34 -50.3 12.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -52.86 -28.29 22.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -89.3 -58.49 2.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 42.8 mm -52.37 -49.56 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.18 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -45.94 -70.76 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -57.71 -38.18 74.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -50.36 -49.54 53.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -109.72 -64.79 1.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 76' ' ' ALA . 20.3 mt -50.51 -42.48 54.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 99.36 -14.36 60.98 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.54 HG23 ' CD ' ' A' ' 108' ' ' GLN . 83.9 mt -62.72 97.33 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.818 0.342 . . . . 0.0 111.152 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 89.1 p -59.23 132.98 87.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.665 0.745 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 153.12 69.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.254 . . . . 0.0 112.344 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.6 pt -97.37 -23.07 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.089 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 70.1 mtm -145.35 168.15 21.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.6 p -97.06 147.64 23.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.132 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -43.75 -48.31 7.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.445 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.87 -40.9 98.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -65.84 -24.49 66.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 11.1 ttt -78.65 -35.9 44.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.41 -21.17 39.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 96.9 p -81.78 -44.52 16.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.5 p -62.61 148.16 11.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.77 -30.14 36.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.538 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -170.39 126.46 0.7 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.619 0.723 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 168.01 22.83 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.705 2.27 . . . . 0.0 112.306 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -87.43 123.08 31.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -39.08 -59.63 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 101' ' ' SER . 31.1 mt -51.65 -72.66 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 100' ' ' LEU . 56.2 m -36.6 -44.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 88.9 mmm -63.34 -60.2 3.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 38.2 t -49.23 -57.75 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 30.8 mtp -45.48 -51.05 12.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -62.7 -60.64 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.565 HD22 ' CH2' ' A' ' 37' ' ' TRP . 27.9 mt -44.41 -44.56 8.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.945 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 92.4 m -43.76 -50.02 7.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.54 ' CD ' HG23 ' A' ' 82' ' ' ILE . 44.5 mt-30 -40.69 -54.44 2.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -59.72 -53.65 55.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.55 ' CD1' ' N ' ' A' ' 111' ' ' GLU . 1.2 t80 -51.61 -63.32 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.55 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 12.4 mm-40 -42.07 -38.26 1.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 34.2 ttm -70.65 -47.02 62.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.446 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 14.5 m-85 -104.67 33.7 3.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.854 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 110' ' ' TYR . 14.5 pttt -74.36 -46.3 41.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -128.43 46.8 2.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.5 m -90.7 -41.72 11.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 60.36 147.23 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -50.18 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.68 2.253 . . . . 0.0 112.324 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 24.2 m -164.7 158.37 17.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 66.3 m -75.04 100.89 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t 39.94 42.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 110.848 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 m -82.07 126.56 32.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.86 -105.07 1.65 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -75.03 154.98 37.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.851 0.358 . . . . 0.0 110.873 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -88.1 -36.26 17.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.31 159.53 46.9 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.442 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 m -150.06 167.31 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.819 0.342 . . . . 0.0 111.091 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -106.31 42.33 1.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -93.66 176.65 6.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.4 ' HA ' HD23 ' A' ' 15' ' ' LEU . 37.2 p -39.47 115.33 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 13' ' ' LYS . 31.9 t -60.82 140.3 57.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 12' ' ' SER . 19.0 mttp -37.36 -47.7 0.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.659 HD21 ' HB2' ' A' ' 106' ' ' LEU . 14.2 tp -61.32 -57.62 11.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.959 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.736 ' HB2' HD11 ' A' ' 33' ' ' LEU . 21.0 tp -42.85 -54.32 4.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -37.51 -56.63 1.56 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.496 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.543 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 28.9 t90 -47.92 -64.47 0.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.741 0.305 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.5 m -43.39 -56.0 3.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -46.36 -41.0 12.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.1 mtt-85 -74.71 -46.44 37.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.47 ' HG3' ' CZ2' ' A' ' 17' ' ' TRP . 48.8 mm-40 -65.32 -65.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 79.5 p -46.78 -32.01 3.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -43.31 116.84 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.72 -36.98 2.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -74.48 145.07 43.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.917 0.389 . . . . 0.0 110.881 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.48 126.38 35.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.139 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.24 -17.95 48.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.599 ' O ' HG12 ' A' ' 28' ' ' VAL . 71.3 t -88.92 62.11 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 111.179 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.425 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 12.5 p-10 -88.09 94.4 9.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -77.86 94.2 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.0 p -91.59 -37.9 12.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -131.52 179.87 5.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.736 HD11 ' HB2' ' A' ' 15' ' ' LEU . 86.1 mt -112.01 42.07 1.83 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.0 p -134.44 -69.74 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' TRP . 26.2 ptm -83.32 -39.81 20.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 65.8 m -40.76 -25.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' LYS . 58.9 m95 -103.65 -34.86 8.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' TRP . 8.2 mtpm? -34.67 -51.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.534 ' HA ' HG13 ' A' ' 65' ' ' VAL . 1.5 t -51.79 -55.92 16.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.29 -34.87 3.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.533 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.431 HD11 ' HA ' ' A' ' 62' ' ' GLU . 97.3 mt -44.84 -59.51 2.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.849 0.356 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -39.03 -68.99 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.9 tp -40.62 -39.73 1.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.0 m -68.98 -42.71 76.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.43 -28.8 67.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.06 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.0 mm -67.33 -55.04 18.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.137 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.413 HG12 HD11 ' A' ' 80' ' ' LEU . 78.2 mt -64.78 -41.58 92.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -66.9 -43.1 84.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.1 tpt85 -39.28 -50.9 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -92.68 -52.27 4.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.485 ' HD2' HD11 ' A' ' 54' ' ' LEU . 25.0 mtt85 -116.74 96.23 48.08 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.633 0.73 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -22.86 31.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.252 . . . . 0.0 112.298 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 54' ' ' LEU . 19.9 t0 -64.73 -65.09 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.485 HD11 ' HD2' ' A' ' 51' ' ' ARG . 16.6 mt -34.22 -53.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.463 HD11 HD23 ' A' ' 71' ' ' LEU . 5.8 tt -130.33 135.08 61.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -102.58 104.35 14.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -67.0 -42.12 85.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -50.46 -45.52 56.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.6 t -66.73 -49.16 66.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.417 HD21 ' CD2' ' A' ' 71' ' ' LEU . 89.5 mt -50.44 145.89 5.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -116.17 133.99 55.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.431 ' HA ' HD11 ' A' ' 41' ' ' LEU . 1.8 pm0 -50.82 -36.98 40.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -55.98 -45.22 79.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.458 ' HB2' ' ND2' ' A' ' 68' ' ' ASN . 19.0 m120 -65.02 114.15 4.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.534 HG13 ' HA ' ' A' ' 39' ' ' SER . 85.8 t -102.25 -66.74 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -51.79 -48.9 63.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 68' ' ' ASN . 0.2 OUTLIER -55.87 -67.07 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.458 ' ND2' ' HB2' ' A' ' 64' ' ' ASN . 5.0 m-80 -35.78 -36.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 65' ' ' VAL . 69.4 m-80 -76.93 -59.38 2.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -47.14 -39.94 14.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.463 HD23 HD11 ' A' ' 55' ' ' ILE . 39.4 tp -57.09 -68.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.27 -50.86 20.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -48.93 -24.6 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -97.09 -55.36 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 43.4 mm -52.47 -48.86 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -45.78 -73.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -52.88 -45.52 67.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -44.16 -53.43 6.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -104.22 -65.12 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 76' ' ' ALA . 13.9 mt -51.5 -50.48 59.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 103.5 8.77 39.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.1 mt -85.01 104.83 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.854 0.359 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.3 t -63.81 132.48 95.24 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.682 0.753 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 156.93 62.0 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.329 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.448 HG13 ' N ' ' A' ' 86' ' ' MET . 29.5 pt -106.02 -35.97 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.448 ' N ' HG13 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -126.29 161.76 27.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 28.0 p -94.64 141.65 28.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.51 -42.71 2.71 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -41.69 96.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.748 0.309 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -67.18 -23.93 65.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 11.8 tpp -79.72 -32.87 41.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.34 -34.99 28.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 m -76.04 -51.52 12.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.425 HG22 ' H ' ' A' ' 96' ' ' GLU . 9.8 p -48.22 136.0 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -68.47 -31.07 73.41 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.48 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.425 ' H ' HG22 ' A' ' 94' ' ' VAL . 45.4 tt0 -172.16 130.01 0.65 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.633 0.73 . . . . 0.0 110.906 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 157.35 60.76 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.639 2.226 . . . . 0.0 112.337 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -80.14 124.58 28.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.421 ' O ' HG23 ' A' ' 103' ' ' VAL . 5.6 tppt? -41.99 -58.96 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.1 mt -45.87 -66.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.0 m -43.61 -56.05 3.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 91.7 mmm -52.2 -63.9 0.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.824 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 99' ' ' LYS . 86.9 t -45.94 -60.28 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.123 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 107' ' ' THR . 16.3 mtm -51.14 -67.41 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.455 ' O ' ' NE2' ' A' ' 108' ' ' GLN . 53.4 t80 -41.6 -46.96 3.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.659 ' HB2' HD21 ' A' ' 14' ' ' LEU . 41.0 mt -63.07 -31.76 72.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.949 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 104' ' ' MET . 54.1 m -40.12 -59.94 1.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -43.51 -53.95 5.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -53.81 -45.19 70.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.438 ' O ' ' N ' ' A' ' 114' ' ' LYS . 2.3 t80 -65.01 -64.34 0.89 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.408 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 64.0 mt-10 -50.35 -29.61 10.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 36.6 tpp -66.39 -32.53 73.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.543 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 28.5 m-85 -129.96 28.49 5.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 110' ' ' TYR . 41.8 pttt -81.56 -18.19 45.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 116' ' ' SER . 11.6 m-20 -86.52 -56.31 3.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.895 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 115' ' ' ASP . 66.9 m -35.24 104.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 115.76 -164.53 12.2 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.449 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 154.97 66.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.8 p -117.21 27.95 8.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.2 p -167.1 141.47 3.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.422 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -124.15 92.79 3.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 0.0 110.845 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.6 t -77.56 -60.01 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.826 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.97 -134.87 7.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.485 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.1 p -80.79 159.6 25.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m -54.31 132.28 43.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.62 -84.93 0.12 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.3 m -46.38 157.49 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 111.168 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 10' ' ' ARG . . . -119.76 166.96 12.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 9' ' ' ALA . 4.4 mmp_? -34.56 144.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.82 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.5 m -86.8 158.72 19.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 13' ' ' LYS . 3.3 m -131.16 140.5 49.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 12' ' ' SER . 21.7 mmtp -38.12 -47.91 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.763 HD21 ' HB2' ' A' ' 106' ' ' LEU . 34.9 tp -65.85 -53.24 42.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.477 ' HB2' HD11 ' A' ' 33' ' ' LEU . 27.2 tp -46.43 -58.57 3.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -36.53 -57.63 1.17 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.463 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.516 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 20.8 t90 -47.58 -60.99 2.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.757 0.313 . . . . 0.0 110.91 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.7 m -49.46 -47.14 48.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -55.62 -43.36 76.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.5 mtt85 -71.4 -39.4 71.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.405 ' C ' ' N ' ' A' ' 23' ' ' ASP . 41.2 mm-40 -74.52 -67.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.502 HG21 HG21 ' A' ' 30' ' ' VAL . 68.4 p -44.16 -22.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.174 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 21' ' ' GLN . 32.3 t0 -53.08 115.44 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.7 -32.03 2.98 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.465 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.563 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 44.5 m-85 -69.82 174.01 5.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.914 0.388 . . . . 0.0 110.878 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.09 132.91 56.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.14 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.92 -2.12 70.71 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 29' ' ' ASN . 96.1 t -91.26 -74.06 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.338 . . . . 0.0 111.134 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.565 ' O ' HG23 ' A' ' 31' ' ' THR . 43.1 t30 37.34 54.9 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.502 HG21 HG21 ' A' ' 22' ' ' THR . 46.3 t -35.51 125.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 29' ' ' ASN . 65.8 p -120.8 -21.7 6.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -148.23 176.45 10.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.646 HD13 HG22 ' A' ' 103' ' ' VAL . 11.2 mt -115.26 36.98 3.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 p -133.77 -74.35 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.8 mtp -81.22 -44.5 17.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -44.75 -24.23 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.509 ' CD1' ' HA ' ' A' ' 33' ' ' LEU . 53.1 m95 -100.15 -35.47 9.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -41.15 -41.29 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.8 p -54.52 -43.29 71.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.48 -39.3 2.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.492 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.659 HD23 ' OD1' ' A' ' 68' ' ' ASN . 58.1 mt -49.68 -60.12 3.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.337 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -41.73 -56.25 2.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.0 tp -56.0 -41.87 75.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.448 ' SG ' HD13 ' A' ' 60' ' ' LEU . 84.9 m -64.12 -38.95 92.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.563 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -62.38 -24.25 67.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 49.1 mm -69.66 -59.52 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.0 mt -59.73 -38.43 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 9.5 t-80 -74.36 -40.79 61.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -39.0 -42.45 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -98.62 -53.02 3.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.407 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 46.1 mtt-85 -120.16 95.95 49.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.578 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.8 -17.73 37.24 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.657 2.238 . . . . 0.0 112.366 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.44 -53.5 23.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.567 HD22 ' HG3' ' A' ' 79' ' ' GLU . 31.9 mt -46.31 -57.01 4.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.515 HG23 ' HB2' ' A' ' 48' ' ' HIS . 6.4 tt -120.58 145.3 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -106.73 96.65 6.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -74.98 -39.2 61.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -52.03 -44.0 64.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.0 t -71.99 -47.43 52.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.483 HD11 HD23 ' A' ' 71' ' ' LEU . 71.6 mt -49.45 162.08 0.17 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -143.52 175.4 9.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -84.88 -24.97 28.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -60.73 -30.49 70.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.428 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.8 OUTLIER -99.54 85.17 3.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 85.4 t -71.08 -56.11 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -58.76 -43.92 90.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 68' ' ' ASN . 33.5 tttp -58.09 -67.21 0.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.659 ' OD1' HD23 ' A' ' 41' ' ' LEU . 2.8 m-80 -35.58 -37.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 65' ' ' VAL . 75.2 m-80 -78.46 -61.23 2.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -42.05 -44.94 3.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.483 HD23 HD11 ' A' ' 60' ' ' LEU . 34.9 tp -53.58 -67.53 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 74' ' ' ASP . . . -47.3 -54.94 9.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -45.04 -22.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 72' ' ' ALA . 9.1 t0 -99.78 -56.53 2.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.2 -46.87 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -48.52 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.69 -46.14 63.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -43.12 -54.8 4.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.567 ' HG3' HD22 ' A' ' 54' ' ' LEU . 31.9 mm-40 -103.0 -64.46 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 76' ' ' ALA . 15.4 mt -51.92 -48.62 64.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.25 -1.4 43.63 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.521 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.4 mt -75.53 106.78 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 111.104 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.4 p -65.79 131.99 94.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.68 0.752 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 146.22 59.52 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.326 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.448 HG23 ' CD1' ' A' ' 105' ' ' TYR . 39.3 pt -91.45 -21.77 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.2 ptp -152.24 176.01 12.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 58.3 p -102.45 151.44 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -47.48 -39.53 15.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.2 tttm -61.28 -54.69 40.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.746 0.308 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -55.31 -20.68 12.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.0 tpp -85.2 -24.57 27.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.46 -30.73 17.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.9 t -76.75 -49.13 16.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.9 p -56.98 145.99 6.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -73.88 -31.94 59.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -172.65 133.83 0.72 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.596 0.712 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 173.57 10.74 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.242 . . . . 0.0 112.398 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.411 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 42.9 t0 -92.91 113.15 25.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 103' ' ' VAL . 1.0 OUTLIER -36.49 -49.74 0.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.4 mt -56.71 -68.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.3 m -43.2 -52.38 5.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 79.0 mmm -53.91 -64.91 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.646 HG22 HD13 ' A' ' 33' ' ' LEU . 73.5 t -44.18 -46.43 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 39.5 mtt -60.34 -65.51 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.448 ' CD1' HG23 ' A' ' 85' ' ' ILE . 69.5 t80 -48.76 -36.51 16.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.763 ' HB2' HD21 ' A' ' 14' ' ' LEU . 89.2 mt -68.51 -34.15 75.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.7 m -37.91 -60.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.404 ' OE1' ' O ' ' A' ' 105' ' ' TYR . 0.5 OUTLIER -42.27 -58.02 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -48.2 -38.14 17.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.488 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 1.8 t80 -77.08 -64.94 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.488 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 9.8 mm-40 -47.16 -31.51 3.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 33.4 ttm -66.23 -39.33 89.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.516 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 29.7 m-85 -120.87 31.85 6.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -82.8 -29.59 29.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 116' ' ' SER . 20.2 m-20 -72.9 -50.63 22.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 115' ' ' ASP . 55.9 p -37.52 139.15 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -77.28 145.37 30.59 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 157.45 60.24 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.71 2.273 . . . . 0.0 112.294 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 60.1 p -174.97 162.95 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.4 m -113.88 150.26 33.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.49 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -165.93 163.54 18.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.363 . . . . 0.0 110.833 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 t -138.98 157.36 46.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.46 94.97 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.522 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.9 t -78.19 -61.83 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.915 0.388 . . . . 0.0 110.866 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 t -97.51 133.87 41.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.826 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.54 -177.03 14.96 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.729 ' O ' HG13 ' A' ' 8' ' ' VAL . 4.7 p -101.38 43.72 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.33 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -42.05 107.94 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.111 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -148.09 149.68 32.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.739 ' HA ' HD23 ' A' ' 15' ' ' LEU . 95.0 p -95.37 106.44 18.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.5 m -67.42 147.12 53.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -39.68 -54.21 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.491 HD21 ' HB2' ' A' ' 106' ' ' LEU . 25.7 tp -57.21 -54.53 45.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.739 HD23 ' HA ' ' A' ' 11' ' ' SER . 30.0 tp -41.65 -64.6 0.55 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -35.61 -62.46 0.65 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -40.16 -53.9 2.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.771 0.32 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.6 m -61.1 -42.73 99.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.956 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -56.69 -34.08 67.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 -84.02 -48.43 9.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -61.2 -56.82 16.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.8 p -57.39 -26.0 60.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -52.12 121.15 6.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.38 -28.18 4.08 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -74.28 177.16 6.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.854 0.359 . . . . 0.0 110.92 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -101.22 132.19 46.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.095 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.55 27.05 33.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.673 ' O ' HG12 ' A' ' 28' ' ' VAL . 55.5 t -116.65 74.25 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -104.57 104.8 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.5 t -77.86 102.72 4.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.4 m -101.4 -32.7 10.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -138.43 173.14 11.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.428 HD21 ' HA ' ' A' ' 15' ' ' LEU . 2.8 mt -111.93 37.86 2.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.4 p -132.12 -74.88 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.6 ptm -85.31 -31.54 22.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.17 -26.08 4.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.428 ' O ' ' C ' ' A' ' 38' ' ' LYS . 42.0 m95 -101.03 -34.66 9.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 37' ' ' TRP . 6.3 mtpm? -35.6 -39.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.3 t -55.91 -59.64 4.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.72 -40.97 1.66 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.515 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.46 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 89.4 mt -42.29 -67.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.341 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -38.31 -69.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.7 tp -42.74 -40.12 2.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 77.0 m -71.95 -31.32 66.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -73.54 -15.57 61.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.2 mm -77.45 -55.52 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mt -62.09 -44.48 99.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.499 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 45.7 t-80 -64.46 -49.92 69.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 48' ' ' HIS . 18.7 tpt85 -36.5 -50.43 0.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 113' ' ' PHE . 43.0 m-85 -88.79 -53.58 4.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -122.16 95.9 46.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.61 0.719 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.499 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.71 -22.86 31.73 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.353 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -64.84 -47.98 75.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.9 mt -50.34 -66.5 0.38 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.3 tt -113.04 139.58 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -102.43 105.42 15.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.46 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 14.4 t80 -73.94 -53.21 10.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.87 -30.89 4.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.0 t -75.87 -46.95 27.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.731 HD13 ' OD1' ' A' ' 68' ' ' ASN . 46.6 mt -55.25 174.53 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 62' ' ' GLU . 60.4 t0 -140.04 131.09 26.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.41 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 11.3 pt-20 -46.13 -38.58 8.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -58.66 -45.8 88.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -64.85 115.83 5.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.6 t -104.37 -62.11 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -57.65 -21.42 39.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 68' ' ' ASN . 0.1 OUTLIER -80.52 -69.42 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.731 ' OD1' HD13 ' A' ' 60' ' ' LEU . 10.6 m-80 -37.0 -39.97 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -76.43 -58.97 2.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -44.24 -44.25 7.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 38.9 tp -59.43 -67.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.62 -58.21 2.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -45.23 -31.73 1.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -87.69 -62.11 1.57 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.5 mm -46.2 -51.62 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -43.7 -73.4 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.058 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -52.6 -45.75 66.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -43.88 -53.37 6.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -104.44 -65.31 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 76' ' ' ALA . 14.8 mt -51.18 -59.87 3.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.94 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 115.58 1.58 21.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.497 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.478 HG21 ' CE1' ' A' ' 109' ' ' PHE . 58.9 mt -75.57 102.0 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 111.136 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 97.1 p -62.67 124.13 81.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.673 0.749 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 140.23 42.24 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.688 2.259 . . . . 0.0 112.374 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.9 pt -79.57 -26.94 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.081 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 51.6 mtm -147.52 -177.62 5.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.2 p -115.95 150.3 37.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -43.72 -40.6 5.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.01 -45.12 96.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.727 0.299 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -68.7 -36.93 79.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 32.4 ttm -69.57 -32.92 71.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.12 -29.3 54.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.048 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.2 t -80.67 -54.28 5.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.872 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.471 HG22 ' H ' ' A' ' 96' ' ' GLU . 10.4 p -53.51 139.61 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.083 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -69.84 -33.33 70.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.471 ' H ' HG22 ' A' ' 94' ' ' VAL . 19.9 tt0 -167.32 134.01 1.84 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.658 0.742 . . . . 0.0 110.919 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -179.14 2.7 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.347 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -96.77 134.11 40.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -51.04 -57.06 9.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.826 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 101' ' ' SER . 55.5 mt -54.7 -71.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 100' ' ' LEU . 5.6 t -38.0 -50.44 1.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 87.2 mmm -56.65 -62.26 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 43.9 t -47.6 -61.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 44.7 mtt -47.53 -54.5 11.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -54.13 -63.06 1.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.96 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.491 ' HB2' HD21 ' A' ' 14' ' ' LEU . 65.5 mt -46.02 -49.09 16.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.941 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 106' ' ' LEU . 24.6 m -36.56 -48.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -43.52 -46.28 6.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.478 ' CE1' HG21 ' A' ' 82' ' ' ILE . 72.4 m-85 -65.18 -50.68 65.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.495 ' CD1' ' N ' ' A' ' 111' ' ' GLU . 1.0 OUTLIER -54.69 -58.79 6.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.495 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 9.5 mt-10 -51.74 -27.06 10.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 27.0 tpp -77.26 -40.7 43.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 50' ' ' TYR . 23.2 m-85 -109.18 22.99 15.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 110' ' ' TYR . 49.4 pttt -70.98 -45.37 64.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.435 ' N ' ' HG3' ' A' ' 114' ' ' LYS . 3.5 m-20 -75.59 -54.73 6.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 115' ' ' ASP . 32.7 t -37.56 -39.75 0.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -71.77 155.13 51.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.485 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -174.91 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.38 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 t -71.35 157.96 37.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.9 t -128.12 119.64 25.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t -122.51 115.77 22.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.379 . . . . 0.0 110.861 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.1 p -53.48 159.59 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.47 -160.62 47.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.51 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.0 p -111.02 164.27 12.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.876 0.369 . . . . 0.0 110.888 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -164.61 158.39 17.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.83 72.91 0.37 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.445 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.4 m -141.39 158.01 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.0 111.114 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 49.5 38.17 13.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.085 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.8 mmm-85 -129.89 156.68 43.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.0 m -79.27 112.34 16.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.8 m -91.71 146.59 23.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -46.48 -47.56 19.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.556 HD21 ' HB2' ' A' ' 106' ' ' LEU . 11.5 tp -61.82 -53.79 51.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.648 ' HB2' HD11 ' A' ' 33' ' ' LEU . 30.4 tp -39.68 -61.47 0.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -38.89 -60.37 1.54 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.474 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 41.5 t90 -42.03 -52.46 4.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.745 0.307 . . . . 0.0 110.955 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.419 ' O ' HG23 ' A' ' 22' ' ' THR . 61.8 m -63.48 -45.51 90.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -57.01 -33.62 67.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -81.89 -49.93 9.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -62.43 -57.49 11.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 18' ' ' CYS . 68.4 p -53.28 -39.71 64.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 23' ' ' ASP . 5.1 t0 -43.72 123.24 3.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.1 -32.07 4.09 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.436 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.608 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 16.6 m-85 -63.51 -176.27 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.931 0.396 . . . . 0.0 110.927 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.29 113.1 24.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.07 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.87 28.52 60.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.478 ' O ' HG12 ' A' ' 28' ' ' VAL . 85.1 t -122.76 78.25 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 111.131 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 8.1 p-10 -104.46 105.03 14.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.422 HG22 ' HB3' ' A' ' 36' ' ' SER . 75.6 t -87.57 105.64 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.478 HG23 ' OD2' ' A' ' 32' ' ' ASP . 9.9 t -103.93 -21.31 13.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.167 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.478 ' OD2' HG23 ' A' ' 31' ' ' THR . 26.3 m-20 -150.77 149.01 29.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.648 HD11 ' HB2' ' A' ' 15' ' ' LEU . 8.2 mt -82.27 43.24 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.1 p -132.24 -74.2 0.51 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 37' ' ' TRP . 22.4 ptm -81.19 -38.91 26.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.422 ' HB3' HG22 ' A' ' 30' ' ' VAL . 49.9 m -38.62 -26.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.495 ' N ' ' O ' ' A' ' 35' ' ' MET . 49.2 m95 -102.85 -32.53 9.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 35' ' ' MET . 10.3 mtpt -40.02 -48.19 2.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.4 t -51.13 -55.77 16.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.53 -42.43 1.59 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.498 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.5 mt -45.67 -59.22 2.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -39.44 -70.48 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.1 tp -44.5 -41.49 6.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 79.8 m -66.48 -32.72 74.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.608 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -71.57 -17.02 62.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.4 mm -78.95 -44.72 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.411 ' CG2' ' HB2' ' A' ' 54' ' ' LEU . 97.1 mt -71.29 -38.5 69.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' A' ' 49' ' ' ARG . 11.4 t-80 -72.61 -50.44 25.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' HIS . 14.0 tpt180 -34.9 -42.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -99.37 -51.94 3.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.942 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -122.35 96.71 45.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.599 0.714 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -19.03 36.6 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.65 2.233 . . . . 0.0 112.368 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.83 -55.86 11.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.411 ' HB2' ' CG2' ' A' ' 47' ' ' ILE . 8.2 mt -42.7 -60.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.2 tt -119.42 147.61 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -111.36 98.92 7.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -63.74 -55.47 22.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -42.93 -40.54 3.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 p -68.92 -40.69 78.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.452 HD21 ' CD2' ' A' ' 71' ' ' LEU . 65.0 mt -68.38 146.44 53.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -120.39 139.86 52.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -48.26 -45.33 34.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -47.61 -47.69 28.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.416 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 5.3 m-20 -68.26 110.71 4.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.5 t -98.75 -66.32 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -51.36 -37.2 46.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 68' ' ' ASN . 20.3 tttp -64.96 -69.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 67' ' ' LYS . 5.3 m-80 -36.52 -35.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -79.87 -62.15 1.77 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -44.0 -36.91 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.452 ' CD2' HD21 ' A' ' 60' ' ' LEU . 26.1 tp -63.06 -69.08 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.56 -59.06 1.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -42.39 -32.27 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -88.8 -59.42 2.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 42.9 mm -47.14 -52.33 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -46.1 -72.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -54.36 -33.62 59.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -59.26 -44.14 92.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -112.53 -65.01 1.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 76' ' ' ALA . 19.6 mt -51.15 -46.26 61.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 103.17 -7.57 52.16 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.486 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.464 HG23 ' CD ' ' A' ' 108' ' ' GLN . 63.6 mt -71.64 108.84 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.361 . . . . 0.0 111.137 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 76.9 p -67.55 129.11 93.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.641 0.734 . . . . 0.0 110.814 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 147.65 63.35 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.529 HD12 ' HB3' ' A' ' 101' ' ' SER . 30.2 pt -92.85 -33.34 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.15 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -128.99 174.74 9.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 88' ' ' GLY . 78.2 p -117.28 142.0 47.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.73 -46.95 0.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -47.41 81.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 87' ' ' THR . 4.5 mm-40 -66.63 -21.98 66.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.7 ttm -83.8 -37.24 22.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.42 -27.58 46.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.7 m -83.77 -54.85 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.1 p -52.59 138.47 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.75 -40.14 95.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.464 ' CG ' ' HD2' ' A' ' 97' ' ' PRO . 24.3 tt0 -162.41 139.04 5.98 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.626 0.726 . . . . 0.0 110.879 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 53.7 Cg_endo -69.8 176.85 6.26 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.659 2.239 . . . . 0.0 112.324 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -102.07 124.87 48.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.831 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.539 ' O ' HG23 ' A' ' 103' ' ' VAL . 13.7 tppt? -41.33 -52.1 3.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.8 mt -54.24 -65.34 0.59 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.529 ' HB3' HD12 ' A' ' 85' ' ' ILE . 60.4 m -46.89 -52.82 13.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.413 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 84.8 mmm -53.64 -63.4 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 99' ' ' LYS . 94.3 t -50.5 -63.17 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.7 mtt -46.49 -49.69 18.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.462 ' HB2' HD13 ' A' ' 85' ' ' ILE . 32.8 t80 -59.74 -66.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.556 ' HB2' HD21 ' A' ' 14' ' ' LEU . 44.5 mt -43.13 -48.14 6.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 106' ' ' LEU . 89.5 m -34.96 -47.36 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.464 ' CD ' HG23 ' A' ' 82' ' ' ILE . 51.2 mt-30 -47.03 -47.34 22.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 106' ' ' LEU . 66.8 m-85 -67.63 -49.33 63.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.481 ' O ' ' N ' ' A' ' 114' ' ' LYS . 1.4 t80 -53.97 -60.64 3.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.478 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 13.8 mt-10 -49.51 -30.89 9.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 22.9 tpp -74.54 -35.93 63.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.474 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 23.8 m-85 -113.74 24.95 11.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 110' ' ' TYR . 11.0 pttp -76.84 -38.76 53.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.438 ' N ' ' HG3' ' A' ' 114' ' ' LYS . 22.4 t70 -61.0 -39.22 88.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 115' ' ' ASP . 10.9 p -38.32 121.2 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 87.92 178.94 47.53 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 179.37 3.73 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.246 . . . . 0.0 112.368 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.1 t -162.38 117.14 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 14.5 t -95.82 135.85 37.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 t -77.94 -61.5 1.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 110.91 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.5 p -85.67 147.7 26.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.76 -156.71 12.38 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.461 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 t -103.04 110.08 21.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.883 0.373 . . . . 0.0 110.831 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.7 m -69.76 155.79 39.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.66 87.27 1.05 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.7 p -130.18 137.62 55.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.339 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.36 -19.89 11.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -79.29 178.84 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 99.9 p -41.44 107.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 13' ' ' LYS . 2.4 m -47.59 133.38 13.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 12' ' ' SER . 16.9 mmtp -34.76 -49.19 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 tp -57.8 -56.94 15.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.6 tp -41.1 -57.22 2.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.88 -59.4 2.07 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.478 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.44 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 31.3 t90 -39.73 -48.47 2.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.737 0.303 . . . . 0.0 110.932 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.2 m -65.91 -48.78 70.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -54.7 -36.15 64.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -79.93 -49.2 12.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -61.69 -60.09 4.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.8 p -51.79 -30.39 22.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -44.75 124.18 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.26 -29.34 5.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.519 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -75.11 -177.15 3.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.936 0.398 . . . . 0.0 110.91 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.55 118.89 35.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.057 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.93 28.87 74.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.497 ' O ' ' N ' ' A' ' 30' ' ' VAL . 39.7 t -117.87 -20.93 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 111.144 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 28' ' ' VAL . 13.5 t30 -36.79 93.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 28' ' ' VAL . 72.9 t -59.53 133.04 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.6 p -118.46 -26.23 6.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -140.72 -175.51 4.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.431 HD13 HG22 ' A' ' 103' ' ' VAL . 41.1 mt -119.23 31.98 6.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.5 p -132.49 -72.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.173 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 38' ' ' LYS . 17.6 mtp -79.22 -46.21 18.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.1 m -38.73 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.455 ' CH2' HD22 ' A' ' 106' ' ' LEU . 77.3 m95 -96.53 -33.22 11.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 35' ' ' MET . 8.7 mtpm? -38.9 -45.23 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.3 t -53.06 -59.52 4.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.06 -37.48 2.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 42' ' ' ALA . 83.2 mt -45.9 -59.12 3.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.446 ' HA ' HG13 ' A' ' 28' ' ' VAL . . . -35.89 -70.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.085 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.6 tp -43.2 -43.8 4.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 67.6 m -64.83 -36.6 84.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.34 -8.28 54.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.5 mm -87.59 -41.46 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 81.4 mt -76.08 -41.17 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.45 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 11.6 t-80 -68.44 -40.97 80.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.6 tpt85 -40.01 -42.04 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -101.69 -52.36 3.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.469 ' NE ' HD11 ' A' ' 54' ' ' LEU . 15.6 mtm180 -122.24 95.7 46.95 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 110.85 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.45 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 54.4 Cg_endo -69.75 -26.07 28.02 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.717 2.278 . . . . 0.0 112.381 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -58.16 -49.54 76.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.469 HD11 ' NE ' ' A' ' 51' ' ' ARG . 16.2 mt -50.4 -65.75 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.5 tt -114.08 132.32 63.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -97.2 105.11 17.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -70.11 -46.83 64.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -51.19 -41.89 60.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.5 p -65.17 -39.06 92.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.436 HD13 ' OD1' ' A' ' 68' ' ' ASN . 88.2 mt -66.49 168.18 9.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -148.32 131.51 16.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.417 ' CD ' ' N ' ' A' ' 63' ' ' GLN . 3.1 pp20? -39.91 -45.37 1.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.417 ' N ' ' CD ' ' A' ' 62' ' ' GLU . 72.4 mt-30 -42.09 -53.27 4.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.402 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 5.7 m-20 -69.92 115.09 8.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.42 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 73.6 t -101.25 -59.32 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.147 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -58.27 -42.2 86.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 68' ' ' ASN . 15.4 ttpp -58.71 -66.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.436 ' OD1' HD13 ' A' ' 60' ' ' LEU . 6.3 m-80 -36.12 -42.79 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 65' ' ' VAL . 71.5 m-80 -72.13 -61.84 1.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -43.24 -40.58 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 32.7 tp -61.65 -68.64 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.83 -50.31 4.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -51.79 -35.29 43.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -82.73 -57.6 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.2 mm -51.37 -54.54 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -44.94 -66.59 0.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -57.55 -35.73 70.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -57.63 -47.02 83.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -108.02 -66.28 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 76' ' ' ALA . 32.6 mt -49.32 -41.58 38.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 97.45 -7.97 64.05 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.727 HG23 ' NE2' ' A' ' 108' ' ' GLN . 71.2 mt -70.25 111.85 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 111.117 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.8 p -68.13 131.62 92.08 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.705 0.764 . . . . 0.0 110.824 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 136.72 33.56 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.638 2.225 . . . . 0.0 112.33 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.9 pt -85.56 -24.44 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 75.2 mtm -141.18 163.8 31.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 88' ' ' GLY . 81.7 p -101.34 138.29 38.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -35.5 -41.66 0.38 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.46 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -62.64 -52.39 63.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.751 0.31 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -58.44 -32.49 68.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.7 tpt -71.9 -37.79 70.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.83 -26.41 40.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.075 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.2 t -83.13 -51.99 7.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.1 p -50.06 150.94 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.07 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -80.51 -36.18 24.01 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.458 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -165.48 131.67 2.09 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.619 0.723 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.41 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 53.1 Cg_endo -69.78 171.27 14.78 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.31 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -96.56 128.97 44.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.583 ' O ' HG23 ' A' ' 103' ' ' VAL . 10.9 tppt? -47.62 -47.71 28.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.3 mt -56.79 -72.15 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.1 p -41.73 -54.6 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.41 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 89.8 mmm -51.08 -62.49 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 99' ' ' LYS . 69.7 t -49.63 -56.44 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 59.7 mtm -50.26 -61.98 1.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -48.86 -61.51 2.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 108' ' ' GLN . 22.9 mt -46.78 -49.53 19.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.7 m -38.15 -28.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.727 ' NE2' HG23 ' A' ' 82' ' ' ILE . 46.6 mt-30 -63.65 -46.76 84.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 106' ' ' LEU . 50.8 m-85 -66.55 -43.17 85.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 114' ' ' LYS . 2.5 t80 -60.85 -61.83 2.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.949 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.458 ' HA ' ' CD ' ' A' ' 114' ' ' LYS . 15.9 mt-10 -52.9 -23.36 6.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 16.5 tpp -78.8 -26.7 44.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.44 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 21.1 m-85 -131.32 29.81 4.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.458 ' CD ' ' HA ' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -81.02 -42.3 21.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.403 ' N ' ' HG3' ' A' ' 114' ' ' LYS . 11.2 m-20 -62.83 -49.03 76.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.6 t -40.27 144.82 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.411 ' HA3' ' HD2' ' A' ' 118' ' ' PRO . . . 105.41 -145.82 15.98 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.411 ' HD2' ' HA3' ' A' ' 117' ' ' GLY . 54.0 Cg_endo -69.75 154.11 68.17 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.366 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.9 m -100.01 132.88 45.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 25.6 m -138.0 114.9 10.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t 53.09 42.24 32.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.936 0.398 . . . . 0.0 110.855 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.5 p -133.21 147.1 51.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.71 79.15 1.44 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.503 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.4 p -120.35 155.94 32.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.867 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 t -73.35 -55.65 6.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.04 55.06 8.31 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.1 t -56.6 -55.94 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 111.127 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.92 90.59 2.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.066 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 47.6 mtt85 -145.21 144.47 30.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.9 t -49.38 116.8 1.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -85.66 159.52 19.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -42.42 84.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.1 tp -67.56 -46.29 73.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 16' ' ' GLY . 53.7 tp -47.68 -64.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -35.15 -53.89 0.92 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.465 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -51.63 -55.22 20.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.749 0.309 . . . . 0.0 110.914 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.762 ' O ' HG23 ' A' ' 22' ' ' THR . 78.1 m -55.42 -36.95 67.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -71.42 -35.53 71.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -78.12 -30.91 49.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -84.7 -53.93 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.762 HG23 ' O ' ' A' ' 18' ' ' CYS . 30.8 p -60.53 -11.94 8.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.88 124.87 21.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.56 -31.13 4.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.491 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 60.7 m-85 -75.07 170.56 15.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.893 0.378 . . . . 0.0 110.887 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -111.59 127.06 55.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.128 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.01 -32.64 5.74 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.419 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.875 HG12 HG23 ' A' ' 30' ' ' VAL . 16.5 t -53.74 -68.48 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 111.124 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 28' ' ' VAL . 24.3 t30 34.49 46.03 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.875 HG23 HG12 ' A' ' 28' ' ' VAL . 51.6 t -44.42 106.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.421 HG23 ' CG ' ' A' ' 32' ' ' ASP . 8.9 t -106.56 -35.57 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.421 ' CG ' HG23 ' A' ' 31' ' ' THR . 9.0 m-20 -128.7 148.53 50.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.413 HD21 ' HA ' ' A' ' 15' ' ' LEU . 3.1 mt -85.77 40.66 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.3 p -131.38 -73.01 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 38' ' ' LYS . 8.3 ptp -78.54 -42.59 28.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.445 ' HB3' HG22 ' A' ' 30' ' ' VAL . 67.7 m -35.11 -33.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.701 ' CH2' HD22 ' A' ' 106' ' ' LEU . 37.1 m95 -95.84 -36.27 11.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 35' ' ' MET . 20.4 mtpp -35.5 -52.29 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.4 p -54.02 -58.64 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.37 -36.3 2.61 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.9 mt -44.81 -57.49 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.795 0.331 . . . . 0.0 110.938 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -41.43 -71.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.9 tp -42.26 -45.23 4.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 83.4 m -65.33 -32.02 73.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.491 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -75.59 -24.63 56.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.522 HD11 ' CG2' ' A' ' 22' ' ' THR . 30.4 mm -72.27 -55.64 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.44 HG12 HD11 ' A' ' 80' ' ' LEU . 52.5 mt -58.14 -44.97 88.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.436 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 19.3 t-80 -66.31 -46.1 78.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 48' ' ' HIS . 19.1 tpt180 -36.0 -44.8 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 113' ' ' PHE . 15.0 m-85 -96.75 -52.52 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.8 mmt-85 -120.86 95.65 48.88 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.576 0.703 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.436 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.77 -20.24 35.06 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.81 -51.2 63.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.576 ' CD1' HD21 ' A' ' 80' ' ' LEU . 37.2 mt -49.3 -56.49 9.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.429 HD11 HD23 ' A' ' 71' ' ' LEU . 8.5 tt -127.78 143.36 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -107.86 106.18 16.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.437 ' HA ' HD12 ' A' ' 60' ' ' LEU . 31.5 t80 -76.63 -31.3 57.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -65.96 -17.84 64.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -95.38 -41.5 8.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.452 HD21 ' CD2' ' A' ' 71' ' ' LEU . 32.1 mt -56.67 151.4 13.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.473 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 4.7 m-20 -116.29 131.01 57.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -46.98 -49.48 20.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' ' 64' ' ' ASN . 5.5 pt20 -46.43 -34.06 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.501 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 52.5 m-20 -74.39 109.74 8.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.413 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 56.1 t -100.47 -68.12 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -54.39 -36.47 63.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -66.04 -63.51 1.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 64' ' ' ASN . 4.9 m-80 -39.46 -30.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 65' ' ' VAL . 71.0 m-80 -83.4 -62.32 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.835 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -42.53 -34.75 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.452 ' CD2' HD21 ' A' ' 60' ' ' LEU . 43.8 tp -67.31 -66.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.3 -57.24 4.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.402 ' HD1' ' HH ' ' A' ' 105' ' ' TYR . 17.5 m-85 -45.42 -23.15 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -95.7 -60.19 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.2 mm -50.98 -48.71 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -46.55 -72.56 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -53.59 -45.81 70.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.411 ' NZ ' ' HA ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -42.75 -54.66 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -103.99 -64.08 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.576 HD21 ' CD1' ' A' ' 54' ' ' LEU . 16.3 mt -51.47 -50.0 60.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 106.65 -3.99 36.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.461 HG23 ' OE1' ' A' ' 108' ' ' GLN . 79.5 mt -71.91 101.53 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.809 0.338 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.8 t -64.48 131.84 95.2 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.64 0.733 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 149.39 66.86 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.4 pt -97.13 -26.46 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.3 mtm -135.67 -174.99 3.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 35.0 p -115.51 146.98 41.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -44.54 -45.24 8.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -66.08 -42.04 89.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.778 0.323 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -66.33 -25.74 66.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 17.2 tpp -78.45 -35.63 46.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -83.27 -19.87 35.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.05 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 t -87.92 -47.65 8.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.1 p -54.53 154.89 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.1 -43.97 7.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -156.25 133.44 6.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.663 0.744 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.434 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 54.0 Cg_endo -69.81 176.73 6.42 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.31 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 99' ' ' LYS . 46.2 t0 -98.79 114.46 27.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.421 ' O ' HG23 ' A' ' 103' ' ' VAL . 27.4 tptt -35.5 -50.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.8 mt -57.78 -74.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.8 t -38.24 -45.19 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.797 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.434 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 94.3 mmm -61.36 -62.89 1.5 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 99' ' ' LYS . 57.6 t -49.17 -50.58 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.421 ' O ' ' N ' ' A' ' 107' ' ' THR . 63.5 mtm -59.72 -73.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 104' ' ' MET . 55.8 t80 -37.13 -44.01 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.701 HD22 ' CH2' ' A' ' 37' ' ' TRP . 31.3 mt -65.49 -45.7 82.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.945 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 104' ' ' MET . 18.1 m -36.47 -45.99 0.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.461 ' OE1' HG23 ' A' ' 82' ' ' ILE . 36.6 mt-30 -46.32 -51.62 14.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.445 ' CE1' HG21 ' A' ' 82' ' ' ILE . 76.3 m-85 -59.84 -48.74 80.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 114' ' ' LYS . 2.9 t80 -57.64 -65.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.445 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 35.8 mt-10 -48.34 -28.87 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 20.1 tpp -74.18 -36.15 64.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.56 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 27.8 m-85 -112.57 18.17 18.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 110' ' ' TYR . 51.1 pttt -63.7 -44.93 92.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.43 ' N ' ' HG3' ' A' ' 114' ' ' LYS . 4.6 t0 -68.99 -60.98 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.868 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 52.2 m -51.34 121.56 6.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 153.61 157.26 8.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 124.47 11.12 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 0.0 112.35 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 21.9 t -76.43 95.21 3.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 121' ' ' GLY . 68.0 m -80.16 -52.6 7.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 120' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.1 t -99.73 42.52 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 m -80.73 142.85 33.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.838 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.55 116.95 0.43 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -75.62 -50.07 16.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.876 0.37 . . . . 0.0 110.84 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.6 p -64.86 175.95 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' HA3' ' CZ ' ' A' ' 10' ' ' ARG . . . -65.94 92.04 0.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.5 m -61.03 144.27 13.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.788 0.328 . . . . 0.0 111.154 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 46.22 42.97 10.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.445 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 19.2 tpp180 -58.13 133.44 55.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 63.2 m 63.65 44.04 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.7 m -45.61 142.47 2.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.14 -42.92 51.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.74 HD21 ' HB2' ' A' ' 106' ' ' LEU . 40.7 tp -53.02 -48.46 67.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.597 ' HB2' HD11 ' A' ' 33' ' ' LEU . 25.9 tp -47.52 -55.95 8.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.47 -58.28 4.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.45 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 51.4 t90 -42.13 -52.38 4.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.762 0.315 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 66.5 m -61.99 -52.27 64.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -47.8 -42.58 26.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -75.71 -49.16 19.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -59.75 -64.4 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.2 p -47.05 -44.39 20.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -37.94 128.44 1.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.87 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.61 -30.92 5.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -71.61 -177.83 2.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 0.0 110.912 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.07 121.38 43.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.52 25.64 70.28 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.481 ' O ' HG12 ' A' ' 28' ' ' VAL . 85.9 t -121.15 71.72 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.849 0.357 . . . . 0.0 111.115 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 29' ' ' ASN . 38.5 t-20 -104.33 90.85 3.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.27 105.24 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.9 p -106.42 -37.17 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -117.18 -175.01 2.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.597 HD11 ' HB2' ' A' ' 15' ' ' LEU . 49.5 mt -121.86 20.3 10.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.2 p -130.41 -72.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 95.6 mtp -69.92 -38.67 76.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.8 t -44.29 -35.4 2.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.414 ' CH2' HD22 ' A' ' 106' ' ' LEU . 48.4 m95 -93.57 -33.05 13.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.97 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -39.4 -37.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.7 t -60.72 -58.89 6.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.22 -36.36 2.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.61 HD21 ' HA ' ' A' ' 62' ' ' GLU . 94.8 mt -47.27 -65.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.948 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -37.79 -69.71 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 tp -40.26 -43.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 79.9 m -67.33 -40.17 85.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -64.47 -29.25 70.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.06 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.3 mm -64.66 -54.33 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.547 HG12 HD11 ' A' ' 80' ' ' LEU . 34.7 mt -62.26 -46.53 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 15.6 t-80 -65.45 -40.77 93.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.825 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.2 tpt85 -39.75 -42.63 1.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -102.69 -50.53 3.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.4 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 46.5 mmt-85 -120.58 95.76 48.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.589 0.709 . . . . 0.0 110.85 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.552 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.7 -27.7 26.46 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.695 2.263 . . . . 0.0 112.398 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -55.28 36.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 29.2 mt -43.93 -62.65 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.9 tt -115.08 132.25 64.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -99.19 90.87 4.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.601 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 14.3 t80 -66.2 -30.71 71.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.14 -38.76 80.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.9 t -74.22 -44.25 53.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.547 HD21 ' CD2' ' A' ' 71' ' ' LEU . 90.7 mt -53.63 166.9 0.27 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -132.83 140.88 48.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.61 ' HA ' HD21 ' A' ' 41' ' ' LEU . 11.0 pt-20 -54.53 -44.01 72.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -56.36 -43.58 79.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -64.34 111.99 2.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.1 t -101.38 -65.14 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -51.94 -27.92 14.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.7 OUTLIER -76.4 -67.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 67' ' ' LYS . 3.7 m-80 -35.43 -32.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 67' ' ' LYS . 80.8 m-20 -83.58 -60.31 2.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -44.16 -39.56 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.547 ' CD2' HD21 ' A' ' 60' ' ' LEU . 25.1 tp -62.73 -67.45 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.4 -58.67 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -43.79 -26.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -93.61 -58.92 2.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.807 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.4 mm -50.58 -50.31 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -46.45 -72.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -54.04 -39.73 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -50.21 -49.42 52.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -109.58 -65.81 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.547 HD11 HG12 ' A' ' 47' ' ' ILE . 42.5 mt -47.45 -48.12 26.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 105.53 -5.45 40.79 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.494 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.569 HG23 ' CD ' ' A' ' 108' ' ' GLN . 58.6 mt -74.48 103.22 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.812 0.339 . . . . 0.0 111.145 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.9 p -62.24 132.7 94.06 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.685 0.755 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 131.53 21.38 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 2.268 . . . . 0.0 112.365 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 28.4 pt -76.62 -21.45 14.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 68.9 mtm -148.84 168.75 22.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 90' ' ' GLU . 28.8 p -100.72 141.34 33.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.136 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -37.12 -44.89 1.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.524 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -61.45 -40.22 93.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.742 0.306 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 87' ' ' THR . 27.9 mm-40 -67.77 -29.25 68.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.2 ttt -77.95 -23.32 48.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -88.91 -24.23 22.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.3 t -87.78 -46.8 9.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.8 p -56.57 150.93 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -82.41 -34.99 21.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.445 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -163.46 134.78 3.65 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.598 0.713 . . . . 0.0 110.932 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 157.16 61.35 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.701 2.267 . . . . 0.0 112.374 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 99' ' ' LYS . 24.2 t0 -81.08 114.4 19.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 98' ' ' ASP . 18.9 tptm -33.98 -73.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 99' ' ' LYS . 50.3 mt -37.46 -54.74 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.0 m -55.24 -41.89 72.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.574 ' HE3' HD11 ' A' ' 106' ' ' LEU . 90.4 mmm -66.3 -61.29 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 85.3 t -47.98 -54.42 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 64.0 mtm -56.28 -71.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -40.74 -47.58 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.74 ' HB2' HD21 ' A' ' 14' ' ' LEU . 71.1 mt -62.38 -39.74 94.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 39.6 m -47.43 -32.99 5.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.569 ' CD ' HG23 ' A' ' 82' ' ' ILE . 69.8 mt-30 -58.52 -43.87 89.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -70.11 -43.06 71.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 114' ' ' LYS . 1.8 t80 -63.88 -63.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.474 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 9.6 mm-40 -45.27 -37.43 4.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 12.5 ttp -72.51 -41.2 66.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -105.65 28.44 7.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 110' ' ' TYR . 14.4 pttp -82.61 -40.88 20.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 116' ' ' SER . 1.1 p-10 -83.43 -46.08 12.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 115' ' ' ASP . 48.2 t -37.88 -42.09 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -69.25 161.76 52.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -8.12 22.79 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.701 2.267 . . . . 0.0 112.322 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.5 t -144.31 141.8 30.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 77.4 p -97.2 174.08 6.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 -179.974 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 p -126.04 171.58 10.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.921 0.391 . . . . 0.0 110.839 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.7 m -142.36 140.91 32.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.52 144.89 15.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 m -49.62 123.21 7.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.937 0.398 . . . . 0.0 110.811 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 m -50.1 177.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.77 89.99 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.6 m -65.68 150.87 10.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 111.157 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.69 130.83 46.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -71.68 173.68 7.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.493 ' HA ' HD23 ' A' ' 15' ' ' LEU . 2.3 m -74.71 91.08 2.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.9 t -82.71 146.36 29.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt -45.09 -50.5 11.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.598 HD21 ' HB2' ' A' ' 106' ' ' LEU . 44.8 tp -58.65 -49.36 77.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 11' ' ' SER . 41.2 tp -44.87 -59.49 2.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -40.39 -53.15 3.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.512 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 57.2 t90 -51.97 -56.08 16.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.765 0.317 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.4 m -56.44 -49.94 73.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -51.67 -40.52 60.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.1 mmt-85 -73.88 -51.92 14.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -61.66 -63.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.473 HG21 HG21 ' A' ' 30' ' ' VAL . 82.0 p -46.98 -38.39 10.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 22' ' ' THR . 18.2 t70 -36.91 130.96 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.51 -39.3 2.61 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.458 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -70.03 174.88 4.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.896 0.379 . . . . 0.0 110.925 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.88 137.57 51.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.116 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.15 -38.15 3.08 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.71 HG12 HG23 ' A' ' 30' ' ' VAL . 84.2 t -50.35 -67.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.629 ' O ' HG23 ' A' ' 31' ' ' THR . 9.9 t-20 33.84 51.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.71 HG23 HG12 ' A' ' 28' ' ' VAL . 84.5 t -44.08 109.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 29' ' ' ASN . 70.0 p -106.51 -38.63 6.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -126.22 -175.13 3.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.521 HD23 ' HE1' ' A' ' 37' ' ' TRP . 69.2 mt -121.31 27.21 8.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.2 p -125.02 -66.1 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 37' ' ' TRP . 12.2 ptp -88.44 -41.94 12.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' MET . 5.4 p -37.47 -30.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.521 ' HE1' HD23 ' A' ' 33' ' ' LEU . 60.9 m95 -98.77 -34.58 10.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 37' ' ' TRP . 5.5 mtpm? -34.33 -44.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.615 ' HA ' HG13 ' A' ' 65' ' ' VAL . 36.1 p -57.54 -59.6 4.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.07 -42.09 1.47 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.466 HD21 ' HA ' ' A' ' 62' ' ' GLU . 38.3 mt -42.45 -49.1 5.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.354 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.88 -57.85 8.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 tp -57.23 -47.91 80.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.5 m -60.2 -35.01 74.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.26 -32.09 73.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.058 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 37.1 mm -65.86 -51.19 64.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.4 mt -63.14 -44.1 99.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.522 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 9.5 t-80 -66.8 -49.51 65.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' HIS . 14.8 tpt180 -34.03 -52.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.412 ' CE2' ' HB3' ' A' ' 113' ' ' PHE . 7.6 m-85 -87.6 -46.71 9.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 44.7 mmt-85 -129.83 96.75 25.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.563 0.697 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.522 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.81 -33.67 15.95 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.66 -57.69 9.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 35.7 mt -42.57 -61.53 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.4 tt -121.84 133.4 68.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -98.4 103.73 15.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -72.65 -55.21 7.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -43.68 -41.28 4.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.7 m -67.11 -48.81 67.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.688 HD13 ' OD1' ' A' ' 68' ' ' ASN . 83.9 mt -52.73 156.11 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -116.8 139.4 50.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.466 ' HA ' HD21 ' A' ' 41' ' ' LEU . 7.1 pt-20 -55.59 -36.92 67.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -57.65 -46.28 84.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.443 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 12.0 m120 -66.72 113.0 4.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.615 HG13 ' HA ' ' A' ' 39' ' ' SER . 96.8 t -101.04 -63.36 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -56.14 -38.39 70.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -60.98 -62.33 1.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.688 ' OD1' HD13 ' A' ' 60' ' ' LEU . 8.7 m-80 -43.18 -45.0 5.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -68.47 -59.74 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -43.78 -47.29 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.0 tp -59.53 -68.47 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.24 -56.52 5.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.067 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -44.39 -34.47 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -84.82 -60.96 1.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.3 mm -47.47 -54.27 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -41.73 -69.09 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.083 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.431 ' HA ' ' C ' ' A' ' 81' ' ' GLY . 15.8 tt0 -56.78 -40.25 75.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -51.1 -50.01 59.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -106.01 -65.19 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 76' ' ' ALA . 34.4 mt -52.19 -40.19 61.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.431 ' C ' ' HA ' ' A' ' 77' ' ' GLU . . . 102.04 -19.54 48.81 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.537 HD13 ' CD1' ' A' ' 109' ' ' PHE . 73.5 mt -60.94 100.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 111.103 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.8 t -63.24 132.06 94.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.673 0.749 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 127.38 14.51 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 86' ' ' MET . 28.1 pt -65.95 -30.83 51.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.423 ' N ' HG13 ' A' ' 85' ' ' ILE . 6.3 ptp -152.69 159.0 43.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 70.2 p -80.74 150.87 29.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -48.38 -44.52 28.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.524 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.76 -58.13 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.311 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -54.82 -41.47 70.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.7 tpp -57.72 -32.6 67.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.0 -38.37 36.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.6 m -70.04 -54.98 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 94' ' ' VAL . 7.8 p -50.56 130.39 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.88 -47.8 87.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.541 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -149.95 134.31 9.22 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.651 0.739 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 172.36 12.82 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.308 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 99' ' ' LYS . 29.9 t0 -94.99 114.98 26.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.434 ' O ' HG23 ' A' ' 103' ' ' VAL . 18.8 tptm -35.12 -50.01 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 15.4 mt -55.25 -65.93 0.5 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 t -46.16 -45.64 16.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 89.8 mmm -60.43 -62.86 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 99' ' ' LYS . 96.3 t -51.19 -57.33 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 41.2 mtm -51.05 -58.8 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -49.6 -61.95 1.83 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.598 ' HB2' HD21 ' A' ' 14' ' ' LEU . 96.8 mt -49.13 -50.22 38.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 106' ' ' LEU . 35.2 m -33.04 -52.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.419 ' CD ' HG23 ' A' ' 82' ' ' ILE . 44.6 mt-30 -39.98 -58.93 1.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.537 ' CD1' HD13 ' A' ' 82' ' ' ILE . 79.2 m-85 -52.61 -48.44 66.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.516 ' CD1' ' N ' ' A' ' 111' ' ' GLU . 0.8 OUTLIER -56.98 -58.63 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.867 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.516 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 33.9 mt-10 -50.81 -37.9 45.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 19.7 ttp -71.71 -43.38 66.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.412 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 19.9 m-85 -105.93 35.9 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 110' ' ' TYR . 16.9 pttp -83.97 -43.86 14.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -70.6 -48.69 53.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.3 m -53.91 106.55 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -123.9 169.05 16.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -175.21 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.601 2.2 . . . . 0.0 112.366 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.1 t -112.55 140.73 47.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 31.8 p -61.23 -48.38 81.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.483 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -70.23 93.57 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.889 0.376 . . . . 0.0 110.886 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.9 p -109.18 127.42 54.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.96 174.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.518 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.4 p -75.92 150.92 37.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 110.894 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.4 m -142.21 159.52 42.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.8 83.32 0.33 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.7 t -59.24 105.51 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 111.167 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.23 123.14 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -67.45 103.25 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.565 ' HA ' HD23 ' A' ' 15' ' ' LEU . 36.8 m -59.4 115.7 3.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 13' ' ' LYS . 16.0 m -74.59 139.06 43.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 12' ' ' SER . 40.9 tptt -34.43 -55.49 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.518 HD21 ' HB2' ' A' ' 106' ' ' LEU . 13.4 tp -55.47 -56.08 24.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.723 ' HB2' HD11 ' A' ' 33' ' ' LEU . 17.9 tp -43.69 -59.59 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -36.59 -49.05 1.31 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.451 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 37.1 t90 -52.2 -52.71 50.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.717 0.294 . . . . 0.0 110.912 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 73.4 m -58.88 -54.68 44.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -48.68 -38.09 20.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -76.11 -47.97 22.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -66.59 -64.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.4 p -44.2 -34.4 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -39.9 120.71 1.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.15 -33.68 2.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.473 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -77.32 148.55 35.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.901 0.381 . . . . 0.0 110.936 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.86 126.69 36.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.35 -20.97 27.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.695 ' O ' HG12 ' A' ' 28' ' ' VAL . 97.8 t -82.63 60.86 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 111.102 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 11.3 p-10 -87.28 89.33 7.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.9 t -74.48 98.64 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.581 HG23 ' OD2' ' A' ' 32' ' ' ASP . 7.8 t -105.55 -20.69 13.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.581 ' OD2' HG23 ' A' ' 31' ' ' THR . 0.5 OUTLIER -145.54 144.46 30.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 15' ' ' LEU . 85.5 mt -84.0 39.85 0.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.2 p -134.8 -63.36 0.7 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.436 ' O ' ' N ' ' A' ' 38' ' ' LYS . 6.4 mtt -85.63 -40.82 15.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.3 m -42.87 -25.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.569 ' HE1' HD23 ' A' ' 33' ' ' LEU . 57.7 m95 -102.79 -26.74 13.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 35' ' ' MET . 6.2 mtpm? -47.32 -39.74 15.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.8 p -65.89 -40.82 91.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.16 -34.83 5.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.48 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 97.3 mt -43.41 -62.78 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -35.58 -71.27 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 43' ' ' LEU . 12.7 tp -43.7 -41.33 4.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 44.5 m -66.7 -36.13 81.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.92 -25.78 61.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.052 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.1 mm -67.47 -52.43 41.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.63 HG12 HD11 ' A' ' 80' ' ' LEU . 85.5 mt -64.77 -43.77 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.526 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 26.9 t-80 -63.31 -44.76 94.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.8 tpt85 -37.93 -51.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -90.57 -52.35 4.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.482 ' HD2' HD11 ' A' ' 54' ' ' LEU . 39.6 mtt-85 -120.73 95.79 48.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.526 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.78 -18.14 37.09 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.316 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -70.03 -55.84 8.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.648 HD22 ' HG3' ' A' ' 79' ' ' GLU . 29.1 mt -41.99 -57.93 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.7 tt -121.41 147.89 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -111.49 105.52 14.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.48 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 35.2 t80 -78.39 -47.44 17.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -48.1 -37.91 16.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 t -74.94 -50.68 15.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.521 HD13 ' OD1' ' A' ' 68' ' ' ASN . 43.7 mt -49.95 169.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -140.13 154.41 46.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -70.9 -37.78 72.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -55.33 -31.4 61.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -89.6 114.99 26.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 87.2 t -101.04 -68.51 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -45.18 -34.9 2.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 68' ' ' ASN . 5.9 mptt -66.36 -75.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.521 ' OD1' HD13 ' A' ' 60' ' ' LEU . 13.3 m-80 -34.88 -45.07 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -62.88 -61.94 2.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -45.7 -42.66 11.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.5 tp -58.35 -69.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.03 -56.84 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -46.0 -25.39 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -94.22 -61.46 1.52 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.2 mm -48.4 -48.45 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.104 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -47.64 -71.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -51.96 -36.68 50.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -58.07 -47.31 83.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.648 ' HG3' HD22 ' A' ' 54' ' ' LEU . 34.9 mm-40 -107.63 -70.17 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.63 HD11 HG12 ' A' ' 47' ' ' ILE . 20.5 mt -47.68 -32.18 5.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.3 8.79 84.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.487 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.535 HG23 ' CD ' ' A' ' 108' ' ' GLN . 87.7 mt -86.82 111.43 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.872 0.368 . . . . 0.0 111.124 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.8 m -67.04 130.63 93.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.636 0.731 . . . . 0.0 110.848 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 137.32 35.06 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.654 2.236 . . . . 0.0 112.371 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.42 HD13 ' HB2' ' A' ' 105' ' ' TYR . 15.9 pt -86.69 -23.88 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 58.9 mtm -137.15 169.35 17.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 39.6 p -110.77 146.38 36.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.44 -47.24 3.69 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.5 -58.88 6.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -52.62 -31.64 37.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 3.5 tpp -69.82 -42.64 73.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.52 -17.06 60.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 m -87.14 -45.56 10.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.478 HG22 ' H ' ' A' ' 96' ' ' GLU . 9.9 p -61.98 141.51 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.112 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.3 -29.91 59.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.478 ' H ' HG22 ' A' ' 94' ' ' VAL . 31.1 tt0 -169.48 130.52 1.01 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.898 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.469 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 53.8 Cg_endo -69.73 164.38 34.72 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.377 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -90.34 129.79 36.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.829 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -45.98 -60.61 2.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 61.3 mt -47.78 -66.47 0.4 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.4 m -44.08 -55.75 4.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.469 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 87.3 mmm -52.15 -63.8 1.02 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.9 t -46.15 -51.81 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 17.4 mtt -52.96 -56.26 17.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.42 ' HB2' HD13 ' A' ' 85' ' ' ILE . 29.1 t80 -57.01 -58.84 6.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.518 ' HB2' HD21 ' A' ' 14' ' ' LEU . 21.8 mt -47.6 -48.99 28.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 106' ' ' LEU . 99.2 m -34.06 -49.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.535 ' CD ' HG23 ' A' ' 82' ' ' ILE . 53.7 mt-30 -47.78 -46.58 30.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 106' ' ' LEU . 65.9 m-85 -65.1 -32.01 73.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.519 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 1.6 t80 -75.71 -63.89 1.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.519 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 45.5 mt-10 -46.39 -25.05 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 47.0 tpp -76.48 -35.85 58.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.451 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 29.8 m-85 -123.49 29.69 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 110' ' ' TYR . 44.7 pttt -79.93 -36.86 35.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 114' ' ' LYS . 1.2 m-20 -74.29 -40.77 62.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.3 p -37.64 122.92 0.98 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -125.88 -157.9 9.76 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 143.97 52.98 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.261 . . . . 0.0 112.385 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 69.4 p -95.22 -56.22 2.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.5 m -85.83 171.23 11.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -96.42 172.62 7.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.367 . . . . 0.0 110.871 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.3 p -56.95 101.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.9 -147.19 50.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 p -131.95 133.88 45.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.904 0.383 . . . . 0.0 110.857 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -60.75 -61.13 2.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.64 -127.05 4.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.471 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 8' ' ' VAL . 34.3 m -76.15 127.0 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.854 0.359 . . . . 0.0 111.14 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.18 139.1 58.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 11' ' ' SER . 55.4 mtp85 -59.4 179.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 10' ' ' ARG . 30.0 p -36.69 120.44 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.5 t -69.08 150.69 47.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.802 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.38 -53.73 16.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.946 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.503 HD21 ' CB ' ' A' ' 106' ' ' LEU . 13.7 tp -60.38 -46.54 89.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 16' ' ' GLY . 23.7 tp -46.47 -63.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -34.35 -55.48 0.75 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.492 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.517 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 53.7 t90 -47.41 -55.79 8.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.764 0.316 . . . . 0.0 110.931 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 81.4 m -57.49 -50.03 74.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -49.28 -38.7 28.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -78.83 -49.76 12.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -60.38 -62.48 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' ASP . 66.6 p -48.94 -43.66 39.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' THR . 7.2 t70 -36.71 133.48 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.02 -37.56 3.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -61.54 -178.62 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.913 0.387 . . . . 0.0 110.91 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.19 109.24 18.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.46 21.97 57.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.503 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.6 t -115.88 72.83 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 111.156 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -98.18 111.31 23.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.8 t -89.99 111.7 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.4 p -111.71 -39.04 4.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 36' ' ' SER . 5.4 m-20 -142.96 139.71 30.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.7 mt -75.67 48.26 0.45 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.2 p -135.03 -72.49 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' LYS . 32.0 mtp -84.98 -46.58 11.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 35' ' ' MET . 12.9 t -35.87 -33.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.527 ' CH2' HD22 ' A' ' 106' ' ' LEU . 48.6 m95 -93.91 -37.92 11.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.949 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 35' ' ' MET . 5.0 mtpm? -34.4 -40.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.3 p -60.38 -54.29 47.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.26 -39.79 2.21 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.524 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.481 HD11 ' HA ' ' A' ' 62' ' ' GLU . 97.7 mt -44.5 -65.23 0.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -39.27 -54.7 1.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.7 tp -56.56 -41.02 76.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 72.7 m -67.43 -34.73 77.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.24 -27.83 67.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.4 mm -65.64 -63.3 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.408 HG12 HD11 ' A' ' 80' ' ' LEU . 67.1 mt -57.51 -42.72 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 49' ' ' ARG . 33.2 t-80 -62.4 -49.69 74.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 48' ' ' HIS . 10.4 ttt85 -34.73 -59.88 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 113' ' ' PHE . 24.0 m-85 -78.86 -52.47 8.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 25.1 mtt-85 -123.82 96.25 43.21 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.602 0.715 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 53.3 Cg_endo -69.76 -27.23 26.73 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -59.34 -56.86 16.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 24.0 mt -40.4 -62.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.8 tt -115.77 132.6 64.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -93.96 96.73 9.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -70.96 -44.52 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.71 -34.46 52.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.2 m -74.8 -46.44 36.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.797 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.647 HD13 ' OD1' ' A' ' 68' ' ' ASN . 88.6 mt -53.93 166.33 0.37 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -138.08 147.24 43.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.481 ' HA ' HD11 ' A' ' 41' ' ' LEU . 11.3 pt-20 -56.81 -43.3 80.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.459 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 14.4 pt20 -56.83 -28.47 61.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -80.98 115.44 20.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.9 t -106.85 -67.4 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -50.98 -37.1 42.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 68' ' ' ASN . 46.4 tttt -66.2 -69.17 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.647 ' OD1' HD13 ' A' ' 60' ' ' LEU . 11.3 m-80 -34.89 -44.15 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -74.48 -58.21 3.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -43.07 -44.8 5.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.73 -68.04 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -40.5 -57.41 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -45.56 -34.24 3.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -86.15 -61.72 1.68 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.6 mm -45.1 -51.75 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -45.78 -73.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.073 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -46.23 59.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -44.0 -56.49 3.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -100.4 -64.61 1.03 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 76' ' ' ALA . 19.7 mt -50.6 -58.29 6.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 113.87 0.22 24.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.773 HG23 ' CD ' ' A' ' 108' ' ' GLN . 66.2 mt -78.56 98.4 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.843 0.354 . . . . 0.0 111.115 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.3 p -59.12 132.28 87.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.721 0.772 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.37 53.82 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.707 2.271 . . . . 0.0 112.345 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.6 pt -90.67 -22.62 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 67.9 mtm -144.83 168.33 20.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 88' ' ' GLY . 2.4 p -102.25 141.67 34.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.08 -50.74 1.21 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -55.54 -44.57 76.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 87' ' ' THR . 4.8 mm-40 -64.86 -35.92 82.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.456 ' O ' HG12 ' A' ' 94' ' ' VAL . 9.6 tpp -66.02 -48.74 70.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.63 -31.93 70.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.6 m -74.11 -55.39 6.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 91' ' ' MET . 7.4 p -49.83 149.54 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -79.67 -40.62 14.59 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -160.9 132.33 3.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 110.872 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 176.02 7.37 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.695 2.264 . . . . 0.0 112.316 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -101.94 124.99 48.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -39.35 -67.5 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 54.5 mt -42.53 -64.75 0.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 m -44.32 -55.99 4.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.811 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 93.0 mmm -52.95 -63.91 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 72.7 t -46.74 -64.13 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.177 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 9.4 mtm -42.66 -54.62 3.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -57.68 -66.61 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.527 HD22 ' CH2' ' A' ' 37' ' ' TRP . 61.1 mt -40.52 -50.01 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 106' ' ' LEU . 92.2 m -34.03 -57.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.773 ' CD ' HG23 ' A' ' 82' ' ' ILE . 63.1 mt-30 -34.9 -47.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -65.47 -50.27 65.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' A' ' 111' ' ' GLU . 1.0 OUTLIER -58.92 -62.57 1.78 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.84 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.563 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 7.9 mm-40 -44.63 -22.42 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.6 ttp -91.2 -31.01 16.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.517 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 24.2 m-85 -115.88 31.36 6.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -87.84 -40.49 13.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 115' ' ' ASP . 31.9 p30 -133.93 37.83 3.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.0 t -46.25 -40.12 11.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -111.23 -152.63 12.49 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 147.15 62.21 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.7 m -147.99 155.23 41.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 75.1 m -47.67 170.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.524 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -164.3 140.31 6.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 0.0 110.863 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 m -116.05 166.95 11.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.47 171.23 32.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.441 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 6' ' ' SER . 75.5 m -70.1 159.71 33.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.871 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 5' ' ' SER . 14.9 t -37.97 -49.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.91 158.07 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.04 145.3 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 111.102 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 42.27 45.57 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.424 ' HB2' ' NH1' ' A' ' 10' ' ' ARG . 1.1 ptm85 -116.06 175.9 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.5 p -45.19 113.46 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -82.7 139.92 33.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -37.8 -47.6 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.48 HD21 ' HB2' ' A' ' 106' ' ' LEU . 23.8 tp -61.87 -51.99 65.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.435 ' CD1' HD21 ' A' ' 33' ' ' LEU . 20.0 tp -43.75 -56.38 3.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -37.97 -60.27 1.31 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.458 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.546 ' CE2' ' HG3' ' A' ' 21' ' ' GLN . 6.0 t90 -46.2 -71.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.73 ' O ' HG23 ' A' ' 22' ' ' THR . 84.4 m -33.9 -46.55 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.412 HE21 ' HB3' ' A' ' 19' ' ' GLN . 5.7 mt-30 -64.53 -49.49 71.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' TRP . 35.0 mtt85 -60.55 -47.9 84.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.579 ' N ' ' CD ' ' A' ' 21' ' ' GLN . 1.2 mm100 -66.5 -58.58 4.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 18' ' ' CYS . 59.1 p -51.52 -45.39 62.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 22' ' ' THR . 6.9 t70 -35.18 120.54 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.48 -33.42 3.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -65.54 -175.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.388 . . . . 0.0 110.92 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.21 108.23 14.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.066 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.82 19.5 59.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.521 ' O ' HG12 ' A' ' 28' ' ' VAL . 60.9 t -114.45 64.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.865 0.364 . . . . 0.0 111.177 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -89.15 110.42 21.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 81.2 t -89.16 108.38 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.5 p -119.65 -22.63 6.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -135.34 170.51 15.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.435 HD21 ' CD1' ' A' ' 15' ' ' LEU . 78.4 mt -116.12 28.77 8.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.9 p -132.08 -59.34 0.94 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.47 ' O ' ' N ' ' A' ' 37' ' ' TRP . 8.3 mmt -87.04 -48.67 7.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.8 t -40.14 -25.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.47 ' N ' ' O ' ' A' ' 35' ' ' MET . 69.7 m95 -100.45 -33.77 10.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 35' ' ' MET . 3.2 mtpt -38.23 -35.74 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.401 ' HA ' HG13 ' A' ' 65' ' ' VAL . 16.4 p -65.11 -54.81 24.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.816 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.33 -40.71 2.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.468 HD23 ' ND2' ' A' ' 68' ' ' ASN . 92.6 mt -39.3 -66.87 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -33.79 -67.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.059 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.5 tp -44.06 -39.78 4.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' LEU . 27.1 m -69.41 -39.18 78.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.44 -27.47 69.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.5 mm -66.21 -62.51 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.434 HG23 HD12 ' A' ' 54' ' ' LEU . 80.6 mt -54.37 -45.27 68.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 49' ' ' ARG . 43.1 t-80 -66.67 -47.18 73.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 48' ' ' HIS . 26.7 tpt85 -34.28 -48.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -98.68 -48.04 5.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.404 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 17.8 mtt85 -120.56 96.05 48.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.652 0.739 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 53.8 Cg_endo -69.79 -29.92 22.97 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.324 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' LEU . 8.3 t70 -56.27 -64.25 0.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.434 HD12 HG23 ' A' ' 47' ' ' ILE . 12.7 mt -37.07 -62.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.412 ' O ' HG23 ' A' ' 55' ' ' ILE . 5.9 tt -116.72 129.47 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -99.04 97.32 8.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.425 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 32.2 t80 -65.41 -38.22 89.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -45.15 -45.66 11.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -70.0 -53.56 17.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.791 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 75.4 mt -51.84 154.28 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -127.91 179.62 5.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -85.03 -24.58 28.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -72.94 -28.46 62.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -79.25 115.43 18.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.401 HG13 ' HA ' ' A' ' 39' ' ' SER . 47.3 t -105.13 -64.3 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -56.57 -42.42 78.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -61.3 -62.33 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.468 ' ND2' HD23 ' A' ' 41' ' ' LEU . 3.7 m120 -41.42 -30.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -85.46 -64.14 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -39.97 -40.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.7 tp -64.86 -67.81 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.15 -52.29 7.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -51.92 -30.65 25.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -87.89 -64.03 1.21 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 16.5 mm -45.09 -49.94 2.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -44.55 -73.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -53.69 -43.15 68.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -45.04 -52.65 8.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -106.38 -63.34 1.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 76' ' ' ALA . 33.5 mt -51.05 -51.87 48.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.89 -7.39 29.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.668 HG23 ' OE1' ' A' ' 108' ' ' GLN . 89.5 mt -73.62 103.6 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.337 . . . . 0.0 111.115 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.6 m -66.72 131.43 94.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.652 0.739 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 131.61 21.56 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.706 2.27 . . . . 0.0 112.33 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.4 pt -75.18 -22.49 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 7.2 ptp -146.21 167.16 24.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 90' ' ' GLU . 71.9 p -100.5 139.11 36.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.51 -38.09 0.25 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -64.26 -44.8 90.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.739 0.304 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 87' ' ' THR . 5.6 mm-40 -65.77 -21.0 66.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.7 tpp -85.31 -29.83 24.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.53 -38.11 35.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.8 t -74.27 -55.39 6.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.4 p -50.41 135.04 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.5 -41.43 99.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.455 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -160.87 138.3 6.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.623 0.725 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -171.9 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.718 2.278 . . . . 0.0 112.352 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.85 122.37 47.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.632 ' O ' HG23 ' A' ' 103' ' ' VAL . 2.4 tmmm? -40.69 -54.38 2.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.8 mt -54.37 -73.5 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.6 m -39.32 -52.13 2.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 87.9 mmm -53.77 -62.29 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 99' ' ' LYS . 91.2 t -50.32 -53.13 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 75.9 mtp -51.72 -62.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -46.92 -62.65 1.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.48 ' HB2' HD21 ' A' ' 14' ' ' LEU . 17.5 mt -45.57 -48.04 14.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.961 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 106' ' ' LEU . 19.1 m -34.86 -39.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.668 ' OE1' HG23 ' A' ' 82' ' ' ILE . 70.2 mt-30 -52.75 -51.81 59.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -61.64 -58.64 7.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.534 ' HA ' ' CZ3' ' A' ' 17' ' ' TRP . 3.2 t80 -45.32 -62.7 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.945 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -54.37 -19.23 5.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 9.9 tpp -78.32 -33.99 48.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -126.34 31.91 5.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -81.56 -30.36 33.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -81.9 -56.76 3.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.0 m -40.06 -48.18 2.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -57.63 158.03 14.27 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -179.54 2.98 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.356 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 30.1 p -128.29 -48.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.2 m -126.57 95.69 4.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.81 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.489 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -58.78 -59.69 5.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.878 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.8 p -87.41 -53.03 5.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.71 81.65 0.15 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -80.83 -57.02 3.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.894 0.378 . . . . 0.0 110.872 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 7' ' ' GLY . 20.0 m -73.31 -46.31 50.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.817 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.86 -105.22 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.46 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.588 ' O ' HG13 ' A' ' 8' ' ' VAL . 6.9 p -95.48 81.74 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.849 0.356 . . . . 0.0 111.154 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.37 -65.05 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -146.16 171.78 14.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 m -80.74 86.19 5.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.1 t -56.49 137.19 53.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.05 -43.29 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.1 tp -58.72 -55.43 35.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.769 ' HB2' HD11 ' A' ' 33' ' ' LEU . 14.5 tp -39.56 -55.2 1.88 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.32 -60.82 3.92 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 37.7 t90 -37.53 -49.51 1.07 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.777 0.322 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.3 m -63.66 -43.55 96.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -58.26 -42.58 86.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -75.23 -44.33 46.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -63.82 -60.81 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 23' ' ' ASP . 79.8 p -53.92 -37.66 64.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 22' ' ' THR . 28.1 t70 -34.15 112.66 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.77 -35.13 1.81 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.453 ' HB3' ' CG2' ' A' ' 28' ' ' VAL . 44.7 m-85 -82.77 164.57 20.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.908 0.385 . . . . 0.0 110.885 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.7 122.39 33.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.13 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.406 ' O ' ' OD1' ' A' ' 29' ' ' ASN . . . 81.44 -34.36 2.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.523 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.473 ' O ' ' C ' ' A' ' 29' ' ' ASN . 91.6 t -48.81 -23.81 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.362 . . . . 0.0 111.153 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.473 ' C ' ' O ' ' A' ' 28' ' ' VAL . 8.2 p-10 -31.62 98.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.1 t -69.33 125.26 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 34.6 p -115.65 -39.38 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.18 -175.86 3.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 15' ' ' LEU . 29.4 mt -126.56 29.38 5.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -133.83 -56.9 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.3 mtp -92.03 -35.22 14.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.8 p -44.03 -33.55 1.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.459 ' O ' ' C ' ' A' ' 38' ' ' LYS . 50.2 m95 -94.45 -36.26 11.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 37' ' ' TRP . 5.3 mtpm? -33.52 -38.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.466 ' HA ' HG13 ' A' ' 65' ' ' VAL . 20.4 p -64.59 -60.52 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.41 -41.7 1.52 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.4 mt -40.18 -57.65 1.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.15 -67.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.445 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 48.6 tp -45.24 -42.31 9.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 60.4 m -64.36 -41.96 96.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.61 -29.29 70.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.6 mm -64.18 -50.36 77.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.667 HG12 HD11 ' A' ' 80' ' ' LEU . 67.3 mt -68.93 -39.74 80.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.577 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 7.3 t-80 -66.35 -53.86 31.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.818 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 48' ' ' HIS . 21.3 tpp180 -33.34 -51.5 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 113' ' ' PHE . 10.8 m-85 -86.79 -50.93 6.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -127.07 96.23 34.85 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.581 0.705 . . . . 0.0 110.851 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.577 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.72 -37.74 8.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.363 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.475 ' CG ' ' N ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -50.41 -50.88 50.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.475 ' N ' ' CG ' ' A' ' 53' ' ' ASP . 47.1 mt -48.44 -67.29 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.5 tt -112.4 134.46 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -100.6 106.93 18.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -71.83 -51.8 20.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 58' ' ' ASP . 20.1 t0 -47.01 -44.08 20.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 p -61.28 -43.84 98.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.819 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.458 HD13 ' OD1' ' A' ' 68' ' ' ASN . 93.8 mt -61.39 159.68 12.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -129.48 126.1 37.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 63' ' ' GLN . 12.1 pt-20 -40.43 -45.62 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 16.1 mm-40 -48.01 -44.66 31.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.481 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 15.9 m-20 -73.01 111.57 8.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.466 HG13 ' HA ' ' A' ' 39' ' ' SER . 71.2 t -93.94 -65.47 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -49.85 -54.53 18.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -44.71 -65.68 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 64' ' ' ASN . 6.4 m-80 -38.88 -42.36 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -72.53 -63.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -39.54 -46.23 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.9 tp -58.57 -69.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.78 -58.58 2.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.414 ' CD1' ' HB3' ' A' ' 84' ' ' PRO . 11.6 m-85 -43.23 -34.63 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.4 ' OD2' ' HD2' ' A' ' 78' ' ' LYS . 6.8 t70 -84.61 -61.16 1.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 51.0 mm -46.65 -53.53 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.437 ' CB ' HD12 ' A' ' 80' ' ' LEU . . . -47.72 -67.41 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.413 ' HA ' ' N ' ' A' ' 82' ' ' ILE . 52.6 tt0 -53.21 -38.47 62.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.4 ' HD2' ' OD2' ' A' ' 74' ' ' ASP . 13.8 mtpp -55.35 -55.67 28.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -99.39 -69.14 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.667 HD11 HG12 ' A' ' 47' ' ' ILE . 32.2 mt -45.24 -40.74 7.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.27 26.34 28.53 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.508 HG23 ' OE1' ' A' ' 108' ' ' GLN . 87.2 mt -105.96 99.82 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 111.085 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.9 t -55.22 132.96 69.27 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.697 0.761 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.414 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 53.6 Cg_endo -69.79 143.46 50.79 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.657 2.238 . . . . 0.0 112.357 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.487 HG13 ' N ' ' A' ' 86' ' ' MET . 37.9 pt -84.67 -37.66 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.487 ' N ' HG13 ' A' ' 85' ' ' ILE . 71.1 mtm -135.68 166.17 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 32.4 p -95.44 148.02 22.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -43.2 -48.34 6.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.437 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -60.5 -47.05 87.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.744 0.307 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.472 ' O ' HG12 ' A' ' 94' ' ' VAL . 15.7 mt-10 -62.5 -38.06 88.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.405 ' O ' HG12 ' A' ' 94' ' ' VAL . 1.1 tpt -62.57 -42.94 99.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.17 -36.56 54.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.7 t -67.66 -47.24 70.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.472 HG12 ' O ' ' A' ' 90' ' ' GLU . 13.6 p -57.52 141.22 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -72.16 -42.93 49.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -159.01 129.63 3.62 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.608 0.718 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -176.36 1.48 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.646 2.231 . . . . 0.0 112.33 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 99' ' ' LYS . 10.6 t0 -104.96 120.42 41.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 98' ' ' ASP . 4.0 tmtm? -37.94 -53.04 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.7 mt -56.1 -65.74 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.1 m -43.89 -51.37 7.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 89.6 mmm -55.24 -58.38 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.401 ' CG2' ' HD3' ' A' ' 99' ' ' LYS . 72.8 t -54.68 -61.4 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 38.1 mtt -43.97 -51.25 7.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.429 ' CD1' HG23 ' A' ' 85' ' ' ILE . 80.5 t80 -57.53 -66.39 0.47 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 107' ' ' THR . 26.6 mt -44.98 -51.17 10.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.956 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 106' ' ' LEU . 98.5 m -31.35 -44.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.508 ' OE1' HG23 ' A' ' 82' ' ' ILE . 51.7 mt-30 -49.29 -56.16 10.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.445 ' CZ ' HD11 ' A' ' 43' ' ' LEU . 91.1 m-85 -54.28 -56.82 14.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.403 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 2.0 t80 -51.51 -61.2 2.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.403 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 18.3 mt-10 -51.42 -29.14 14.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 24.7 ttm -75.67 -46.36 31.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.56 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 32.9 m-85 -107.78 37.17 2.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.484 ' HG3' ' N ' ' A' ' 115' ' ' ASP . 47.1 pttt -82.38 -45.28 15.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.484 ' N ' ' HG3' ' A' ' 114' ' ' LYS . 0.6 OUTLIER -72.28 -46.32 56.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.853 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 115' ' ' ASP . 3.6 m -34.36 -39.87 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -103.2 141.94 15.36 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.449 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 1.67 4.23 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.727 2.285 . . . . 0.0 112.306 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.1 t -69.17 95.85 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.813 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.6 m -105.26 85.98 2.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.448 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -108.49 107.28 17.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.88 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 p -125.31 99.53 6.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.75 -169.39 23.55 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.456 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 m -121.21 42.37 3.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.9 0.381 . . . . 0.0 110.833 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.6 p -147.01 156.54 43.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.11 -152.95 17.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.5 t -64.18 150.36 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 111.128 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.05 95.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 11' ' ' SER . 18.6 ttp180 -112.58 150.48 31.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.757 ' CB ' HD23 ' A' ' 15' ' ' LEU . 79.5 p -34.53 107.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 13' ' ' LYS . 2.4 t -41.02 137.62 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 12' ' ' SER . 41.7 mmtt -34.34 -39.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.4 tp -66.53 -57.01 8.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.948 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.757 HD23 ' CB ' ' A' ' 11' ' ' SER . 50.5 tp -44.1 -63.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -36.05 -59.62 0.92 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 52.5 t90 -46.0 -57.58 4.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.745 0.307 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.8 m -56.92 -39.85 75.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -58.24 -42.34 86.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -76.54 -45.23 31.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -62.88 -60.47 3.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.409 ' CG2' HD11 ' A' ' 46' ' ' ILE . 58.0 p -53.5 -36.84 62.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -41.09 133.56 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.807 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.22 -36.83 3.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.53 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.542 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 14.7 m-85 -59.1 -175.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.912 0.386 . . . . 0.0 110.928 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -109.35 122.47 47.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.95 34.82 80.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.752 ' O ' HG12 ' A' ' 28' ' ' VAL . 53.4 t -120.81 67.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 111.169 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -91.55 96.96 10.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.3 t -79.65 96.39 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.176 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.0 t -104.84 -29.84 10.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -115.27 -174.97 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.2 mt -128.88 16.67 6.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.422 HG22 ' HG2' ' A' ' 97' ' ' PRO . 0.7 OUTLIER -130.88 -58.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.2 ptp -87.42 -27.44 22.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.4 t -56.68 -30.99 64.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.474 ' O ' ' N ' ' A' ' 40' ' ' GLY . 61.2 m95 -95.55 -29.19 14.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 37' ' ' TRP . 15.3 mtpt -36.53 -41.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.08 -44.55 91.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 37' ' ' TRP . . . 111.11 -43.66 1.67 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.505 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.736 HD21 ' HA ' ' A' ' 62' ' ' GLU . 79.8 mt -38.1 -66.13 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.808 0.337 . . . . 0.0 110.895 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -37.12 -61.76 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.6 tp -48.51 -42.1 32.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 65.7 m -68.43 -37.0 79.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.542 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -66.05 -29.34 69.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.409 HD11 ' CG2' ' A' ' 22' ' ' THR . 49.2 mm -66.11 -62.27 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.811 HG12 HD11 ' A' ' 80' ' ' LEU . 53.3 mt -56.4 -47.31 81.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 29.4 t-80 -61.5 -47.21 86.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 48' ' ' HIS . 17.9 tpt180 -34.41 -55.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -89.34 -49.54 6.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.505 ' HB2' HD12 ' A' ' 54' ' ' LEU . 9.8 mmm180 -120.98 95.99 48.73 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.567 0.699 . . . . 0.0 110.858 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.558 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.83 -37.99 8.26 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -51.19 -59.36 4.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.77 HD22 ' HG3' ' A' ' 79' ' ' GLU . 44.3 mt -38.82 -65.15 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.447 HG23 ' O ' ' A' ' 55' ' ' ILE . 6.5 tt -114.25 128.52 71.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -94.97 105.65 17.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.476 ' HA ' HD12 ' A' ' 60' ' ' LEU . 24.7 t80 -75.86 -42.8 48.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -48.11 -47.28 34.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.6 t -65.56 -47.01 77.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.476 HD12 ' HA ' ' A' ' 57' ' ' PHE . 55.9 mt -54.32 148.06 12.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.472 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 9.6 m-20 -118.76 131.05 56.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.736 ' HA ' HD21 ' A' ' 41' ' ' LEU . 1.1 pm0 -44.58 -40.72 5.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.44 ' N ' ' HG2' ' A' ' 62' ' ' GLU . 5.5 mm-40 -55.47 -46.43 76.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.472 ' ND2' ' HB2' ' A' ' 61' ' ' ASP . 21.6 m-20 -66.45 116.21 7.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 77.6 t -102.04 -62.14 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -52.97 -41.61 64.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -60.07 -65.74 0.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 64' ' ' ASN . 9.0 m-80 -38.73 -40.05 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -74.43 -64.0 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -41.33 -42.55 2.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 48.3 tp -64.8 -67.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.951 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.71 -55.96 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -46.01 -39.67 9.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -79.27 -64.41 1.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.825 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.9 mm -43.82 -54.35 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -42.56 -67.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.05 -38.61 73.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt -54.27 -50.11 68.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.77 ' HG3' HD22 ' A' ' 54' ' ' LEU . 5.3 mm-40 -104.42 -65.01 1.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.811 HD11 HG12 ' A' ' 47' ' ' ILE . 28.2 mt -51.54 -42.6 61.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 103.24 -18.88 47.59 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.597 HG23 ' CD ' ' A' ' 108' ' ' GLN . 71.2 mt -63.33 103.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.9 t -64.41 131.37 95.04 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.632 0.73 . . . . 0.0 110.841 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 127.08 14.11 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.258 . . . . 0.0 112.327 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.491 HG23 ' CD1' ' A' ' 105' ' ' TYR . 42.5 pt -63.0 -33.1 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.423 ' N ' HG13 ' A' ' 85' ' ' ILE . 5.6 ptp -146.54 170.14 17.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 49.8 p -92.62 145.21 24.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -38.55 -44.05 1.69 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.455 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.405 ' C ' ' HD2' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -56.57 -51.95 66.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.704 0.288 . . . . 0.0 110.874 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.503 ' O ' HG12 ' A' ' 94' ' ' VAL . 8.6 mm-40 -58.13 -37.04 73.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.3 tpt -67.58 -34.85 77.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.23 -39.98 38.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.7 p -68.83 -53.68 20.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 90' ' ' GLU . 12.9 p -50.73 134.65 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.05 -35.95 91.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.44 ' H ' HG22 ' A' ' 94' ' ' VAL . 31.7 tt0 -167.33 132.53 1.64 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 110.921 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.422 ' HG2' HG22 ' A' ' 34' ' ' THR . 54.2 Cg_endo -69.77 178.51 4.5 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.36 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 99' ' ' LYS . 22.5 t70 -101.28 117.33 34.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.803 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.487 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.1 OUTLIER -34.26 -52.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.5 mt -52.05 -64.27 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.1 p -47.22 -54.77 9.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 85.1 mmm -51.89 -55.76 18.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 99' ' ' LYS . 84.2 t -56.52 -63.22 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 21.7 mtm -44.9 -52.65 8.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.491 ' CD1' HG23 ' A' ' 85' ' ' ILE . 82.2 t80 -59.57 -62.96 1.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 49.6 mt -44.03 -45.39 7.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 92.3 m -39.16 -48.29 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.597 ' CD ' HG23 ' A' ' 82' ' ' ILE . 52.9 mt-30 -44.96 -43.42 9.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -67.71 -50.52 57.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.408 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 2.0 t80 -55.46 -61.81 2.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.408 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 11.4 mm-40 -49.11 -28.25 4.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.3 ttm -68.18 -48.59 64.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -114.97 36.12 4.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 115' ' ' ASP . 4.0 ptmm? -80.97 -41.28 23.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.469 ' N ' ' HG3' ' A' ' 114' ' ' LYS . 4.4 m-20 -65.74 -42.56 90.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 115' ' ' ASP . 95.8 p -34.5 -44.53 0.2 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -57.25 146.03 37.33 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 2.81 3.2 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.657 2.238 . . . . 0.0 112.349 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.0 t -121.56 107.27 12.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.7 t -100.33 139.31 36.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.497 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.8 p -122.77 127.99 49.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 110.837 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 m -106.35 129.01 54.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.36 71.77 1.03 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.449 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -96.21 135.75 37.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 t 46.74 41.53 10.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.74 -144.47 17.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.494 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.7 m -103.8 42.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.856 0.36 . . . . 0.0 111.123 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.68 110.49 16.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -128.07 161.25 29.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 89.5 p -96.03 128.54 43.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 13' ' ' LYS . 7.9 t -101.44 137.49 39.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 12' ' ' SER . 14.6 mtpt -37.07 -50.7 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.555 HD21 ' HB2' ' A' ' 106' ' ' LEU . 12.8 tp -62.51 -51.61 66.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 16' ' ' GLY . 47.6 tp -42.0 -62.69 0.87 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -34.7 -56.37 0.79 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.506 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 52.3 t90 -46.24 -55.09 7.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.754 0.312 . . . . 0.0 110.957 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.7 m -58.74 -47.58 84.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -57.84 -21.08 40.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -93.1 -45.17 8.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -71.23 -54.34 11.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.1 p -60.93 -12.61 11.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -59.17 122.65 14.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.93 -37.35 2.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -65.03 167.83 7.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.932 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -110.14 133.22 53.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.084 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.23 -31.79 4.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.513 HG12 HG23 ' A' ' 30' ' ' VAL . 49.6 t -60.21 -69.24 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.819 0.343 . . . . 0.0 111.118 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 28' ' ' VAL . 6.2 p-10 35.82 52.03 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.513 HG23 HG12 ' A' ' 28' ' ' VAL . 24.2 t -40.39 114.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.8 t -123.92 5.43 8.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -162.62 179.05 8.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.701 HD13 HG22 ' A' ' 103' ' ' VAL . 87.8 mt -118.09 22.55 12.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.9 p -128.25 -74.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.3 mtp -74.05 -42.59 60.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 m -44.35 -29.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.47 ' CH2' HD22 ' A' ' 106' ' ' LEU . 61.0 m95 -98.95 -33.81 10.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 37' ' ' TRP . 5.0 mtpm? -35.3 -53.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.534 ' HA ' HG13 ' A' ' 65' ' ' VAL . 17.1 t -49.12 -47.69 45.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' TRP . . . 114.52 -37.14 3.65 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.487 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.483 HD11 ' HA ' ' A' ' 62' ' ' GLU . 85.3 mt -45.25 -45.37 11.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.12 -65.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.5 tp -50.97 -47.71 61.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.3 m -57.75 -38.89 76.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.36 -17.63 64.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.8 mm -80.14 -40.33 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.456 HG12 HD11 ' A' ' 80' ' ' LEU . 66.2 mt -74.53 -40.83 48.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -71.57 -45.31 62.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -38.1 -46.68 1.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -93.97 -50.95 5.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 mtt85 -123.05 94.96 46.64 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.579 0.704 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 55' ' ' ILE . 53.1 Cg_endo -69.75 -18.45 37.07 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.312 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.487 ' CG ' ' N ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -68.95 -51.59 38.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.487 ' N ' ' CG ' ' A' ' 53' ' ' ASP . 12.8 mt -48.02 -60.99 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.4 ' O ' ' O ' ' A' ' 52' ' ' PRO . 5.1 tt -115.91 151.35 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -117.0 107.03 14.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -74.63 -48.93 23.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -44.42 -39.91 5.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.6 t -73.08 -46.29 52.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.437 HD13 ' OD1' ' A' ' 68' ' ' ASN . 71.9 mt -56.15 163.1 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -133.83 156.05 48.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.483 ' HA ' HD11 ' A' ' 41' ' ' LEU . 5.7 pt-20 -66.95 -43.71 82.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -52.55 -44.62 65.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -68.38 115.21 7.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.534 HG13 ' HA ' ' A' ' 39' ' ' SER . 26.1 t -104.75 -64.92 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 89' ' ' LYS . 22.9 tt0 -53.06 -45.06 67.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -56.15 -66.09 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.437 ' OD1' HD13 ' A' ' 60' ' ' LEU . 12.2 m-80 -38.36 -45.17 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -68.22 -62.02 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -40.95 -40.04 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.3 tp -65.59 -65.27 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.52 -51.81 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -52.31 -28.59 19.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -87.97 -58.55 2.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.8 mm -53.01 -51.51 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -47.78 -68.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -55.99 -33.78 65.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -59.42 -48.46 81.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -106.95 -63.72 1.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 76' ' ' ALA . 30.2 mt -52.72 -35.7 56.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.19 -8.06 80.69 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.542 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 94.8 mt -68.1 109.05 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.342 . . . . 0.0 111.143 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t -63.97 132.71 95.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.65 0.738 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 152.03 69.2 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.458 HG23 ' CD1' ' A' ' 105' ' ' TYR . 30.8 pt -95.7 -21.89 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.0 ptp -162.46 160.82 26.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 90' ' ' GLU . 29.6 p -87.01 143.26 27.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.51 -44.33 0.86 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 15.3 tttt -62.53 -45.26 93.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.74 0.305 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.544 ' O ' HG12 ' A' ' 94' ' ' VAL . 9.1 mm-40 -65.79 -17.05 64.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.4 tpp -91.14 -29.01 17.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.98 -5.22 51.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.2 m -108.03 -38.7 5.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.801 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 90' ' ' GLU . 2.4 p -52.88 -15.43 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.71 -38.89 2.34 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -166.27 130.92 1.74 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.669 0.747 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.424 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 53.5 Cg_endo -69.79 -172.09 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.731 2.287 . . . . 0.0 112.331 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -118.23 125.84 50.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.64 ' O ' HG23 ' A' ' 103' ' ' VAL . 39.1 tptt -40.93 -51.49 3.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.5 mt -54.95 -72.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 t -41.83 -51.93 4.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.424 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 89.0 mmm -53.83 -65.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.701 HG22 HD13 ' A' ' 33' ' ' LEU . 85.7 t -47.59 -61.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 9.3 mtt -49.25 -69.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.458 ' CD1' HG23 ' A' ' 85' ' ' ILE . 62.7 t80 -39.54 -50.88 2.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.555 ' HB2' HD21 ' A' ' 14' ' ' LEU . 58.9 mt -57.7 -49.28 77.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 106' ' ' LEU . 93.3 m -36.71 -35.31 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -56.87 -49.11 76.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -64.69 -43.53 93.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.449 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 3.1 t80 -60.87 -67.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.449 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 36.2 mt-10 -44.5 -30.74 0.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 29.0 tpp -73.97 -37.48 64.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 110' ' ' TYR . 28.0 m-85 -109.72 23.12 14.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -73.43 -41.06 63.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.82 -58.26 4.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.4 m -51.93 131.17 30.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 78.16 -157.57 44.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 112.14 3.0 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 85.3 p -112.82 176.54 4.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.5 t -98.66 -51.11 4.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.486 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 m -142.06 122.02 13.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 110.813 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.3 p -44.09 143.34 1.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.69 125.02 1.26 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.6 t -162.16 139.13 8.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.836 0.35 . . . . 0.0 110.886 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -129.14 162.67 27.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.45 172.39 15.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 8' ' ' VAL . 29.4 m -103.47 57.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 111.149 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -128.79 -46.59 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.8 ttt-85 -90.3 -50.73 5.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.2 p -67.36 103.95 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.2 p -51.48 145.6 8.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.33 -45.35 17.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.633 HD21 ' HB2' ' A' ' 106' ' ' LEU . 41.1 tp -64.49 -54.17 36.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.8 tp -41.69 -56.03 2.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.52 -52.56 6.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.476 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 50.6 t90 -51.35 -52.9 41.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.727 0.299 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.759 ' O ' HG23 ' A' ' 22' ' ' THR . 63.6 m -59.42 -43.51 93.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -59.97 -48.51 81.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 20' ' ' ARG . 5.8 mmm180 -65.9 -50.74 63.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -61.73 -61.57 2.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.759 HG23 ' O ' ' A' ' 18' ' ' CYS . 45.2 p -49.28 -43.28 43.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -40.23 110.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.04 -27.51 2.78 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -72.53 -179.88 3.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.905 0.383 . . . . 0.0 110.913 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -103.24 133.99 47.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 51.73 30.46 28.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.565 ' O ' HG12 ' A' ' 28' ' ' VAL . 79.1 t -120.87 76.55 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 111.109 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -102.15 99.78 9.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.1 t -83.06 92.62 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 t -104.84 12.22 32.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -166.99 -175.03 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.418 HD13 HG22 ' A' ' 103' ' ' VAL . 26.6 mt -125.89 31.09 5.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.2 p -133.74 -74.46 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.2 ptm -81.5 -22.04 38.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.3 m -59.92 -24.92 64.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.427 ' O ' ' C ' ' A' ' 38' ' ' LYS . 36.6 m95 -106.94 -28.24 10.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 37' ' ' TRP . 7.7 mtpm? -36.47 -47.69 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.9 t -49.43 -53.76 21.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.51 -29.7 6.02 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 42' ' ' ALA . 89.1 mt -55.06 -63.7 1.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.797 0.332 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -36.54 -62.53 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.6 tp -46.96 -42.46 17.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 71.4 m -70.98 -30.47 66.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.75 -22.14 63.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.8 mm -74.0 -62.33 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.587 HG12 HD11 ' A' ' 80' ' ' LEU . 81.5 mt -54.64 -42.16 59.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 45.2 t-80 -68.35 -47.42 67.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' HIS . 19.1 tpt85 -37.0 -50.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -88.69 -52.83 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -121.27 95.74 48.39 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.648 0.737 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.578 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.79 -11.94 31.82 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -73.18 -55.57 6.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.618 ' CD1' HD21 ' A' ' 80' ' ' LEU . 14.3 mt -44.21 -58.73 2.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.6 tt -122.0 142.75 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -109.36 105.96 15.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -74.33 -44.9 50.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -48.27 -39.31 21.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.4 t -74.4 -43.96 54.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.9 mt -57.38 158.93 5.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.426 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 1.8 m-20 -127.59 150.92 49.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -67.11 -38.49 85.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -55.71 -26.19 43.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.426 ' ND2' ' HB2' ' A' ' 61' ' ' ASP . 31.5 m-20 -89.98 115.24 27.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 96.5 t -102.21 -67.46 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -48.31 -35.67 12.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 68' ' ' ASN . 38.4 tptt -65.7 -71.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 67' ' ' LYS . 8.7 m-80 -35.42 -38.09 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -75.18 -62.19 1.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.415 ' C ' ' CD ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -45.11 -49.54 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.6 tp -52.27 -67.22 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.66 -54.8 3.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -47.91 -33.17 7.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -86.42 -59.93 2.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 30.4 mm -47.66 -52.77 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -43.17 -72.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -53.19 -45.45 68.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -44.55 -57.57 3.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -98.91 -63.76 1.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.618 HD21 ' CD1' ' A' ' 54' ' ' LEU . 19.6 mt -52.47 -53.51 44.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 109.68 -9.31 32.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.689 HG23 ' OE1' ' A' ' 108' ' ' GLN . 97.4 mt -70.35 110.94 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 111.197 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t -66.96 131.92 93.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.654 0.74 . . . . 0.0 110.837 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 157.04 61.64 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.619 HD12 ' OG ' ' A' ' 101' ' ' SER . 18.0 pt -99.08 -32.92 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.072 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.458 ' SD ' ' CG1' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -134.22 173.72 11.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 90' ' ' GLU . 1.3 p -112.54 145.13 40.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -35.89 -45.15 0.79 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.497 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.4 tptp -63.07 -43.39 98.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.713 0.292 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 87' ' ' THR . 28.6 mm-40 -69.36 -16.14 63.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.5 ttt -92.28 -26.13 18.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -86.81 -27.23 23.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.059 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.3 m -86.39 -51.22 6.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.4 p -52.08 136.24 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.52 -40.49 90.96 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.417 ' CG ' ' HD2' ' A' ' 97' ' ' PRO . 25.4 tt0 -159.8 137.65 7.28 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.619 0.723 . . . . 0.0 110.894 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.492 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 53.7 Cg_endo -69.73 169.23 19.36 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -93.87 121.19 35.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -39.29 -52.6 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 82.5 mt -53.72 -73.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.619 ' OG ' HD12 ' A' ' 85' ' ' ILE . 1.2 t -39.29 -51.91 2.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.492 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 88.5 mmm -53.77 -64.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.418 HG22 HD13 ' A' ' 33' ' ' LEU . 77.2 t -52.3 -61.78 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 40.1 mtp -47.61 -44.51 26.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.514 ' CD1' HG23 ' A' ' 85' ' ' ILE . 34.6 t80 -64.67 -66.67 0.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.633 ' HB2' HD21 ' A' ' 14' ' ' LEU . 49.1 mt -43.01 -43.72 4.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 98.7 m -40.59 -41.84 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.689 ' OE1' HG23 ' A' ' 82' ' ' ILE . 62.2 mt-30 -50.84 -43.18 59.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -69.36 -46.59 66.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.489 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 2.1 t80 -58.21 -65.61 0.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.489 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 16.3 mm-40 -43.09 -34.62 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 60.2 ttm -75.08 -43.25 54.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.476 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 22.8 m-85 -105.06 34.73 3.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -89.04 -35.48 16.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.422 ' CG ' ' N ' ' A' ' 116' ' ' SER . 1.6 p-10 -82.76 -49.11 10.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.422 ' N ' ' CG ' ' A' ' 115' ' ' ASP . 38.8 t -39.59 139.96 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 98.96 -121.34 7.17 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.48 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 115.82 4.28 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 87.6 p -62.19 127.67 32.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 27.3 p -79.78 144.32 33.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.842 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -138.25 151.64 47.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.831 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.4 t -165.74 140.79 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.14 117.84 0.8 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -98.85 174.07 6.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.884 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -101.28 98.96 9.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.32 -115.98 0.66 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.453 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.5 m -85.66 155.29 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.812 0.339 . . . . 0.0 111.127 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -155.73 158.12 37.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.065 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.6 mtt85 -120.92 174.87 6.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.824 ' HA ' HD23 ' A' ' 15' ' ' LEU . 2.8 m 50.01 53.44 12.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.848 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 t -50.53 147.61 4.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -45.93 -43.17 13.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.512 HD21 ' HB2' ' A' ' 106' ' ' LEU . 55.8 tp -67.3 -55.2 14.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.824 HD23 ' HA ' ' A' ' 11' ' ' SER . 41.1 tp -40.79 -50.66 3.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.58 -50.07 14.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.457 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.481 ' CZ2' ' HG3' ' A' ' 21' ' ' GLN . 62.6 t90 -55.15 -43.42 74.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.745 0.307 . . . . 0.0 110.929 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.42 ' O ' HG23 ' A' ' 22' ' ' THR . 66.1 m -64.33 -39.91 94.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -66.09 -29.75 70.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -85.25 -40.63 16.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.481 ' HG3' ' CZ2' ' A' ' 17' ' ' TRP . 34.6 mm-40 -72.46 -50.04 29.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 18' ' ' CYS . 27.4 p -72.73 2.98 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -69.7 122.48 19.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.13 -37.66 2.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.442 ' OH ' ' N ' ' A' ' 49' ' ' ARG . 32.9 m-85 -60.49 175.94 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.378 . . . . 0.0 110.931 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.82 130.29 55.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.64 -32.51 4.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 29' ' ' ASN . 98.9 t -61.86 -69.1 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 111.15 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 28' ' ' VAL . 44.2 t30 34.83 52.66 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.439 HG23 HG12 ' A' ' 28' ' ' VAL . 42.9 t -38.85 126.78 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.5 -38.02 1.36 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -105.24 -175.83 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.503 HD21 ' HB2' ' A' ' 15' ' ' LEU . 65.7 mt -124.35 4.97 8.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.5 p -119.24 -75.31 0.58 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.532 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 73.4 mtp -71.2 -28.43 64.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.0 t -47.37 -24.06 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.76 ' CH2' HD22 ' A' ' 106' ' ' LEU . 4.8 m95 -112.69 -13.06 13.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.532 ' CG ' ' HA ' ' A' ' 35' ' ' MET . 7.6 mmmt -47.37 -31.84 4.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.7 p -78.99 -32.08 45.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.65 -36.24 4.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.527 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.7 mt -41.67 -49.22 4.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 110.949 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.77 -64.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 43' ' ' LEU . 7.3 tp -50.06 -40.87 46.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 68' ' ' ASN . 88.0 m -68.51 -35.99 78.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.25 -31.39 70.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.064 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.09 -58.5 7.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.527 HG12 HD11 ' A' ' 80' ' ' LEU . 39.2 mt -57.4 -44.57 84.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.439 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 11.6 t-80 -62.29 -51.25 68.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.444 ' C ' ' HD3' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -36.37 -62.44 0.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -75.95 -46.97 27.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -128.45 94.7 34.85 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.439 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.81 -24.62 29.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.326 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -45.42 88.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 29.6 mt -52.51 -59.01 4.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.9 tt -125.44 140.76 47.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -102.6 123.04 45.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -88.6 -38.22 15.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.51 -31.99 69.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 m -77.2 -42.73 36.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.531 HD13 ' OD1' ' A' ' 68' ' ' ASN . 73.4 mt -57.79 175.48 0.19 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -154.04 133.89 13.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -45.87 -40.2 9.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -49.17 -47.83 45.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.403 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 1.0 OUTLIER -76.32 110.82 11.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 70.5 t -101.11 -51.91 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -63.38 -27.07 69.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 68' ' ' ASN . 41.2 tttt -74.53 -68.49 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.531 ' OD1' HD13 ' A' ' 60' ' ' LEU . 5.8 m-80 -34.81 -41.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -74.29 -63.54 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -41.34 -42.56 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.3 tp -61.71 -66.5 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.14 -56.29 4.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -43.96 -27.16 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -93.98 -58.42 2.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.9 mm -49.57 -49.99 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -47.46 -74.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.074 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.56 -44.84 62.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -44.33 -56.33 4.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -101.49 -63.2 1.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.527 HD11 HG12 ' A' ' 47' ' ' ILE . 29.2 mt -51.44 -51.88 51.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 109.46 -3.2 30.95 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.558 HD13 ' CD1' ' A' ' 109' ' ' PHE . 70.6 mt -74.21 104.92 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 111.157 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t -63.1 130.26 94.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.61 0.719 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 137.81 36.49 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.718 2.278 . . . . 0.0 112.355 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.8 pt -80.22 -26.99 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.153 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.6 ptp -152.81 171.98 17.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.0 p -97.73 145.32 26.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -38.26 -44.36 1.6 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -59.88 4.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.741 0.305 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -52.95 -21.23 4.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.3 tpt -83.7 -28.06 28.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.35 -35.11 23.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.123 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.4 p -71.93 -38.15 69.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.468 HG22 ' H ' ' A' ' 96' ' ' GLU . 9.6 p -67.52 153.37 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.26 -28.11 37.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.486 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.468 ' H ' HG22 ' A' ' 94' ' ' VAL . 15.1 tt0 -175.19 137.17 0.55 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 0.0 110.87 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 165.6 30.38 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.342 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -87.62 130.43 34.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -44.33 -62.65 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 85.1 mt -45.03 -67.04 0.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.6 p -43.26 -54.66 4.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 93.4 mmm -53.62 -64.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 76.6 t -43.7 -55.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.154 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 56.8 mtp -55.12 -69.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -41.87 -57.27 2.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.76 HD22 ' CH2' ' A' ' 37' ' ' TRP . 39.6 mt -52.63 -54.76 28.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 106' ' ' LEU . 96.7 m -33.9 -43.89 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -47.53 -49.28 26.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.558 ' CD1' HD13 ' A' ' 82' ' ' ILE . 65.8 m-85 -62.07 -36.35 81.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 114' ' ' LYS . 1.2 t80 -68.31 -56.07 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.415 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 45.6 mt-10 -58.59 -18.18 27.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 5.7 tpp -88.27 -24.09 23.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.426 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 25.0 m-85 -124.09 18.45 9.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 110' ' ' TYR . 14.1 ptmt -74.94 -40.13 60.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 116' ' ' SER . 1.6 p-10 -73.6 -46.71 45.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 115' ' ' ASP . 2.2 t -36.08 135.57 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 118.87 144.91 7.57 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -3.92 13.0 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.719 2.279 . . . . 0.0 112.374 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.1 p -137.29 178.76 6.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.6 t -147.3 146.44 29.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -69.53 125.69 27.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.859 0.361 . . . . 0.0 110.862 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -82.67 -61.1 1.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.34 -164.43 24.26 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.3 t -66.22 -51.39 58.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.375 . . . . 0.0 110.846 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -141.15 132.02 25.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.66 137.68 2.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.527 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.1 t -75.53 86.88 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.861 0.362 . . . . 0.0 111.136 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.48 155.91 31.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -71.87 174.85 6.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 63.0 m -42.18 131.94 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 13' ' ' LYS . 34.4 t -103.28 140.33 37.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.815 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 12' ' ' SER . 7.8 mtmp? -36.78 -42.74 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.515 HD21 ' HB2' ' A' ' 106' ' ' LEU . 20.0 tp -63.91 -58.26 7.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' GLY . 25.4 tp -37.59 -62.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -37.85 -63.32 0.89 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 71.7 t90 -40.78 -48.2 2.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.748 0.308 . . . . 0.0 110.908 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.693 ' O ' HG23 ' A' ' 22' ' ' THR . 38.1 m -63.68 -39.5 94.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -64.28 -49.12 73.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.8 mmt-85 -68.25 -45.29 73.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -63.42 -51.79 64.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 18' ' ' CYS . 44.4 p -67.09 -4.46 10.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.106 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -67.54 122.06 17.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.57 -23.31 6.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.494 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -73.14 171.2 13.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 0.0 110.915 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.11 118.01 35.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.116 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.26 19.21 79.77 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.699 ' O ' HG12 ' A' ' 28' ' ' VAL . 95.1 t -115.9 60.93 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.888 0.375 . . . . 0.0 111.147 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.418 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 2.4 t30 -89.34 79.86 6.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.0 112.4 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.0 t -126.66 -6.7 6.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.174 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -127.69 177.23 6.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.2 mt -120.61 11.26 11.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.6 p -132.46 -70.89 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 38' ' ' LYS . 26.4 mtm -66.48 -44.45 82.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 t -45.67 -22.33 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 53.0 m95 -105.23 -20.73 13.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.948 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 35' ' ' MET . 8.4 mtpm? -52.84 -42.56 65.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.4 p -59.42 -34.4 72.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.77 -43.22 1.72 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.513 HD23 ' OD1' ' A' ' 68' ' ' ASN . 91.3 mt -39.18 -68.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.814 0.34 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -34.14 -67.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.8 tp -43.97 -43.27 6.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.3 m -65.54 -37.71 87.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.38 -17.56 64.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.1 mm -79.24 -49.4 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.445 HG12 HD11 ' A' ' 80' ' ' LEU . 33.3 mt -67.84 -44.41 85.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.553 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 16.0 t-80 -63.5 -46.46 85.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' HIS . 21.7 tpt180 -35.64 -54.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' A' ' 113' ' ' PHE . 10.8 m-85 -86.51 -51.39 6.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.416 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 41.7 mtt85 -123.39 97.66 42.25 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.572 0.701 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.553 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.77 -14.33 35.9 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.644 2.229 . . . . 0.0 112.329 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -73.02 -59.56 2.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.6 mt -38.28 -53.29 1.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.9 tt -123.66 135.38 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -101.84 93.42 5.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -64.55 -54.12 37.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -43.17 -33.2 0.86 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 m -78.39 -47.21 18.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.7 mt -53.01 152.77 3.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -126.49 129.37 48.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -42.26 -37.76 1.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -61.7 -42.94 99.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -72.2 70.25 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 57.8 t -54.53 -75.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.403 ' HG3' ' HB2' ' A' ' 92' ' ' ALA . 2.8 mp0 -39.62 -58.08 1.37 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -40.85 -63.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.513 ' OD1' HD23 ' A' ' 41' ' ' LEU . 3.6 m-80 -42.24 -29.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 70' ' ' GLN . 69.4 m-80 -90.25 -66.54 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 69' ' ' ASN . 49.5 tp60 -37.88 -39.08 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.0 tp -65.45 -67.14 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.96 -48.57 32.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -51.75 -27.36 11.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -93.31 -60.02 1.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.7 mm -48.65 -49.07 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.192 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -50.74 -68.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -53.56 -38.22 63.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -55.79 -47.31 77.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -108.0 -67.54 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 76' ' ' ALA . 56.6 mt -47.7 -39.16 16.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 91.87 7.5 64.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.578 HG23 ' CD ' ' A' ' 108' ' ' GLN . 76.5 mt -87.03 103.87 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.907 0.385 . . . . 0.0 111.153 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t -59.88 133.18 89.55 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.652 0.739 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 138.01 36.82 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.315 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.404 HG23 ' CD1' ' A' ' 105' ' ' TYR . 35.9 pt -80.51 -29.19 11.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.8 ptp -153.73 166.5 32.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 31.1 p -89.81 154.84 19.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -47.61 -48.11 23.06 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.44 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.64 -58.58 7.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.722 0.296 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -50.37 -36.29 31.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 19.5 tpp -66.26 -36.14 82.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.403 ' HB2' ' HG3' ' A' ' 66' ' ' GLU . . . -76.72 -38.67 53.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.0 m -68.01 -52.88 30.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.532 HG22 ' H ' ' A' ' 96' ' ' GLU . 9.3 p -52.97 142.05 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.124 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -77.7 -24.27 65.29 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.514 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.532 ' H ' HG22 ' A' ' 94' ' ' VAL . 49.2 tt0 -169.03 126.9 0.86 Allowed Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.622 0.725 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.433 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 53.7 Cg_endo -69.75 144.21 53.35 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.688 2.258 . . . . 0.0 112.339 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 99' ' ' LYS . 10.9 t70 -58.3 109.39 0.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.815 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -34.42 -67.74 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 67.5 mt -40.55 -55.65 2.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.9 m -55.77 -41.32 73.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.486 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -62.55 -62.05 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.1 t -53.3 -51.21 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.5 mtt -56.55 -68.47 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.404 ' CD1' HG23 ' A' ' 85' ' ' ILE . 64.9 t80 -41.74 -48.18 4.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.515 ' HB2' HD21 ' A' ' 14' ' ' LEU . 81.6 mt -59.49 -51.0 71.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 106' ' ' LEU . 95.6 m -35.46 -50.58 0.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.578 ' CD ' HG23 ' A' ' 82' ' ' ILE . 31.8 mt-30 -41.17 -46.8 3.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -63.99 -61.49 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.439 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 1.1 t80 -46.08 -58.47 3.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.945 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.439 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 75.5 mt-10 -51.27 -23.41 3.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 1.4 tpt -78.23 -41.58 33.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.548 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 19.4 m-85 -115.61 35.95 4.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 13.6 pttm -82.65 -36.31 26.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -74.69 -54.64 7.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.2 m -42.07 -32.72 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -82.85 161.3 39.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -30.14 23.1 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.76 2.307 . . . . 0.0 112.327 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 65.8 m -86.63 151.07 23.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.0 t -145.99 161.91 39.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.452 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.92 0.391 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -49.25 -50.62 37.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.61 HD21 ' HB2' ' A' ' 106' ' ' LEU . 45.7 tp -57.34 -51.54 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.57 ' HB2' HD11 ' A' ' 33' ' ' LEU . 33.3 tp -45.85 -61.34 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -37.5 -58.9 1.34 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.507 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 67.1 t90 -44.81 -54.74 6.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.727 0.298 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.498 ' O ' HG23 ' A' ' 22' ' ' THR . 61.7 m -59.43 -37.41 78.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -63.09 -29.47 70.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.444 ' NH1' ' HB3' ' A' ' 20' ' ' ARG . 14.3 mtp-105 -88.8 -40.58 13.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -70.48 -53.79 14.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 18' ' ' CYS . 36.6 p -60.74 -20.91 62.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -50.37 129.1 21.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.93 -38.28 2.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.491 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.44 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 32.6 m-85 -61.09 -179.64 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.875 0.369 . . . . 0.0 110.912 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -120.66 127.69 52.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.87 -33.24 4.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.494 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.485 HG12 HG23 ' A' ' 30' ' ' VAL . 96.5 t -49.88 -68.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 111.094 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.708 ' O ' HG23 ' A' ' 31' ' ' THR . 9.0 t30 34.9 53.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.485 HG23 HG12 ' A' ' 28' ' ' VAL . 71.6 t -38.16 113.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 29' ' ' ASN . 70.0 p -112.88 -25.24 9.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -147.03 167.22 24.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' A' ' 15' ' ' LEU . 24.0 mt -106.2 35.42 2.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 p -134.45 -74.87 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.411 ' O ' ' N ' ' A' ' 38' ' ' LYS . 6.1 mtt -76.51 -50.97 12.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 t -40.06 -30.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.556 ' CD1' ' HA ' ' A' ' 33' ' ' LEU . 74.9 m95 -92.25 -36.53 13.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 35' ' ' MET . 4.2 mtmp? -39.97 -39.74 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.475 ' HA ' HG13 ' A' ' 65' ' ' VAL . 2.3 t -58.0 -43.48 86.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.49 -41.16 2.31 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.511 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.512 HD23 ' OD1' ' A' ' 68' ' ' ASN . 85.8 mt -41.63 -51.86 3.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.795 0.331 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.64 -64.96 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.64 HD11 ' CE2' ' A' ' 109' ' ' PHE . 15.4 tp -47.03 -46.38 21.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 60.8 m -60.88 -39.67 90.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.44 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -65.1 -16.9 63.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.1 mm -79.29 -54.82 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.0 mt -62.42 -45.12 99.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' ARG . 31.2 t-80 -62.25 -47.09 85.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 48' ' ' HIS . 24.2 tpt180 -36.48 -52.75 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 113' ' ' PHE . 5.4 m-85 -89.51 -52.2 5.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -119.62 94.61 48.63 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -23.88 30.1 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.639 2.226 . . . . 0.0 112.365 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.43 -59.0 5.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.1 mt -43.07 -56.91 3.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.8 tt -122.02 136.03 60.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -107.8 102.99 12.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -71.27 -49.16 45.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -43.31 -41.07 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.4 t -73.14 -49.41 28.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.8 mt -49.05 145.99 3.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.461 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 7.8 m-20 -110.26 134.27 52.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 62' ' ' GLU . 1.6 pm0 -58.81 -11.86 3.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -77.75 -40.61 40.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.461 ' ND2' ' HB2' ' A' ' 61' ' ' ASP . 34.0 m-20 -74.94 114.0 12.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.475 HG13 ' HA ' ' A' ' 39' ' ' SER . 99.3 t -96.67 -44.66 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -70.4 -35.8 73.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -65.25 -61.55 2.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.512 ' OD1' HD23 ' A' ' 41' ' ' LEU . 2.9 m-80 -40.93 -40.41 1.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -77.02 -62.21 1.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -41.35 -39.52 1.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.2 tp -63.23 -68.05 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.48 -53.43 6.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -48.69 -29.08 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -89.69 -58.83 2.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.2 mm -50.79 -52.6 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -45.03 -71.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -53.74 -42.8 68.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -47.1 -57.36 5.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -99.39 -62.44 1.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 76' ' ' ALA . 20.1 mt -53.58 -58.33 7.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 113.26 -3.61 25.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.728 HG23 ' CD ' ' A' ' 108' ' ' GLN . 50.9 mt -71.38 99.93 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.848 0.356 . . . . 0.0 111.128 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.5 t -58.52 134.26 85.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.666 0.746 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 141.01 44.16 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.297 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.2 pt -88.39 -27.27 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.8 ptp -149.49 152.25 35.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 46.0 p -76.95 158.19 30.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.152 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -56.59 -44.62 90.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -63.32 -36.74 84.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.743 0.306 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -73.15 -22.33 60.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.0 ttt -94.0 -18.94 21.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.87 -18.08 24.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.7 m -95.19 -46.88 6.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.9 p -48.56 139.94 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.78 -33.11 83.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -170.55 136.66 1.19 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.633 0.73 . . . . 0.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.432 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 54.2 Cg_endo -69.71 -174.72 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.698 2.265 . . . . 0.0 112.393 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 99' ' ' LYS . 24.8 t0 -107.5 116.91 32.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.851 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 98' ' ' ASP . 9.0 tmtt? -34.07 -60.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 52.3 mt -50.77 -72.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.7 m -38.63 -54.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.812 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.432 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 93.6 mmm -50.35 -65.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.9 t -48.65 -61.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 45.0 mtm -43.85 -51.8 7.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -60.63 -61.9 2.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.936 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.61 ' HB2' HD21 ' A' ' 14' ' ' LEU . 46.8 mt -43.14 -49.93 6.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 106' ' ' LEU . 6.7 m -35.31 -53.9 0.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.181 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.728 ' CD ' HG23 ' A' ' 82' ' ' ILE . 50.3 mt-30 -37.1 -49.69 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.64 ' CE2' HD11 ' A' ' 43' ' ' LEU . 56.9 m-85 -60.82 -55.01 38.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.527 ' CD1' ' N ' ' A' ' 111' ' ' GLU . 0.6 OUTLIER -52.99 -57.25 10.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.952 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.527 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 62.9 mm-40 -47.79 -22.24 0.51 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 26.9 tpp -92.4 -29.9 16.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.507 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 24.3 m-85 -113.84 23.88 12.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 110' ' ' TYR . 5.8 ptmm? . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 13' ' ' LYS . 16.1 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.955 0.407 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 12' ' ' SER . 12.0 ttmt -36.53 -42.99 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.424 HD21 ' CB ' ' A' ' 106' ' ' LEU . 12.6 tp -73.82 -53.42 10.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.0 tp -42.3 -53.59 4.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.48 -51.95 6.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.512 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 27.7 t90 -51.02 -55.97 14.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.746 0.308 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.436 ' O ' HG23 ' A' ' 22' ' ' THR . 72.8 m -56.36 -44.07 79.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -56.29 -46.61 79.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -69.45 -47.55 63.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -63.77 -65.09 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 18' ' ' CYS . 63.6 p -46.05 -38.42 7.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -43.38 128.24 4.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.25 -36.09 3.66 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -62.77 -176.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.968 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.51 119.28 36.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.0 32.13 69.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.524 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.3 t -124.27 80.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 111.111 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -105.47 113.53 27.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.5 t -100.79 106.65 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.2 p -103.09 -31.53 10.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -134.55 -176.12 4.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.551 HD12 ' HE3' ' A' ' 99' ' ' LYS . 15.0 mt -120.11 42.1 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.425 ' O ' ' CG ' ' A' ' 97' ' ' PRO . 19.9 p -134.73 -55.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.8 mtt -100.03 -33.77 10.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.2 m -43.33 -24.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.431 ' O ' ' C ' ' A' ' 38' ' ' LYS . 39.9 m95 -104.72 -33.14 8.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 37' ' ' TRP . 6.7 mtpm? -35.81 -39.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.3 p -58.91 -59.35 5.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.83 -39.86 1.84 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.533 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.502 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 25.5 mt -49.3 -63.68 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -35.92 -62.77 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.8 tp -51.56 -37.07 47.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' LEU . 69.2 m -72.02 -33.13 67.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.8 -19.85 64.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.2 mm -73.91 -59.88 2.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.439 HG12 HD11 ' A' ' 80' ' ' LEU . 21.0 mt -57.43 -43.37 82.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 9.1 t-80 -66.37 -50.11 64.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 48' ' ' HIS . 22.6 tpt180 -34.35 -48.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -93.78 -50.19 5.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -123.69 95.72 44.28 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.569 0.699 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.578 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.81 -18.63 36.64 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -69.12 -62.18 1.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.3 mt -38.7 -54.61 1.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.1 tt -121.07 134.84 63.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -102.99 95.38 6.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.502 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 27.8 t80 -66.04 -47.55 74.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -47.14 -46.2 23.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.6 t -66.92 -42.59 85.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.578 HD21 HD22 ' A' ' 71' ' ' LEU . 82.3 mt -56.81 164.29 1.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.485 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 7.9 t0 -139.65 132.6 29.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.43 -29.87 11.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -58.8 -48.59 80.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -72.07 73.14 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 95.1 t -58.95 -56.1 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -57.59 -50.16 74.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 69' ' ' ASN . 7.1 tmtm? -55.42 -68.13 0.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 61' ' ' ASP . 10.2 m-80 -35.65 -31.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 67' ' ' LYS . 56.6 m-80 -83.53 -60.8 2.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.449 ' NE2' ' HA ' ' A' ' 70' ' ' GLN . 1.6 tp-100 -44.35 -45.64 8.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.578 HD22 HD21 ' A' ' 60' ' ' LEU . 24.4 tp -51.21 -71.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.95 -57.69 3.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -44.5 -28.15 0.54 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -92.18 -60.85 1.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.9 mm -47.65 -49.75 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -48.14 -67.17 0.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.057 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -55.61 -36.07 66.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -56.98 -51.34 69.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -104.2 -68.94 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.439 HD11 HG12 ' A' ' 47' ' ' ILE . 43.5 mt -45.81 -38.28 7.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.34 9.18 62.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.459 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 69.6 mt -89.19 121.25 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.825 0.345 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.1 p -79.69 130.39 67.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.647 0.737 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 135.08 29.43 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.65 2.234 . . . . 0.0 112.302 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.4 pt -76.09 -20.12 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 61.9 mtm -149.54 175.01 11.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 88' ' ' GLY . 11.9 p -110.62 142.32 42.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.64 -50.39 0.75 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.39 -51.79 57.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.32 -33.51 73.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.4 tpp -69.77 -42.84 73.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.88 -30.68 62.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.9 m -76.13 -54.85 6.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.1 p -53.57 149.18 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.58 -41.78 9.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -157.78 127.54 3.28 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.602 0.715 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.425 ' CG ' ' O ' ' A' ' 34' ' ' THR . 53.3 Cg_endo -69.81 170.34 16.86 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.675 2.25 . . . . 0.0 112.32 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 99' ' ' LYS . 9.2 t70 -90.17 118.72 29.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.551 ' HE3' HD12 ' A' ' 33' ' ' LEU . 35.2 tptt -37.26 -60.6 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 57.3 mt -46.87 -68.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 m -41.83 -53.81 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 92.2 mmm -54.09 -64.29 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.434 HG22 HD13 ' A' ' 33' ' ' LEU . 75.9 t -44.68 -63.88 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 47.3 mtm -42.38 -54.18 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -58.43 -64.94 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.424 ' CB ' HD21 ' A' ' 14' ' ' LEU . 58.2 mt -41.38 -50.6 3.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 106' ' ' LEU . 53.0 m -35.53 -45.09 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -45.59 -51.54 11.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -59.91 -46.1 90.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.499 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 1.5 t80 -60.22 -61.94 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.499 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 24.9 mt-10 -51.72 -16.96 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 33.0 tpp -87.15 -36.64 17.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -119.22 35.36 4.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 32.7 pttt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 13' ' ' LYS . 6.2 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.923 0.392 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 12' ' ' SER . 4.8 tppp? -37.45 -44.6 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 15' ' ' LEU . 6.8 tp -66.1 -56.31 12.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.574 HD11 HE21 ' A' ' 19' ' ' GLN . 19.5 tp -34.82 -60.52 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 17' ' ' TRP . . . -39.6 -66.47 0.74 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.483 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.447 ' C ' ' O ' ' A' ' 16' ' ' GLY . 71.9 t90 -34.1 -51.46 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.732 0.301 . . . . 0.0 110.914 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.753 ' O ' HG23 ' A' ' 22' ' ' THR . 39.0 m -58.18 -48.34 80.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.574 HE21 HD11 ' A' ' 15' ' ' LEU . 25.1 mt-30 -59.76 -50.53 73.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.482 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 1.5 mpt_? -59.99 -51.59 69.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -64.37 -63.46 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.753 HG23 ' O ' ' A' ' 18' ' ' CYS . 55.2 p -45.62 -37.35 5.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -45.55 123.79 4.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.02 -26.92 5.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.493 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.487 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 14.3 m-85 -71.85 -176.76 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 110.929 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.4 109.61 17.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.07 19.93 58.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.461 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.44 ' O ' HG12 ' A' ' 28' ' ' VAL . 59.2 t -118.96 70.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 111.096 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -94.56 106.93 18.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.0 t -85.63 103.77 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.43 HG23 ' OD2' ' A' ' 32' ' ' ASP . 11.1 t -119.93 -10.07 9.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.43 ' OD2' HG23 ' A' ' 31' ' ' THR . 8.5 m-20 -141.17 171.38 14.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.569 HD11 ' HB2' ' A' ' 15' ' ' LEU . 66.0 mt -117.4 18.33 14.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.8 p -120.59 -74.91 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.482 ' O ' ' N ' ' A' ' 38' ' ' LYS . 25.1 ptp -78.61 -36.81 43.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.4 t -39.86 -29.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.565 ' CH2' HD22 ' A' ' 106' ' ' LEU . 33.4 m95 -101.79 -25.0 13.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 35' ' ' MET . 7.9 mtpm? -45.57 -32.56 2.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 t -63.28 -52.14 63.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.35 -37.51 3.22 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 42' ' ' ALA . 47.7 mt -49.74 -64.46 0.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -34.57 -68.06 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tp -45.91 -41.18 11.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.424 ' HA ' HD13 ' A' ' 55' ' ' ILE . 61.9 m -65.35 -41.67 93.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.487 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -65.98 -16.8 64.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.5 mm -78.45 -50.04 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.26 -40.37 86.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.513 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 5.9 t-80 -70.54 -44.44 67.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' HIS . 9.5 tpt180 -35.24 -44.88 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -99.38 -48.36 4.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 14.3 mmm180 -124.05 95.27 44.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.513 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.82 -29.26 23.85 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -56.37 -54.12 49.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.0 mt -48.3 -62.67 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 44' ' ' CYS . 7.9 tt -116.45 132.41 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -100.33 106.75 18.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -76.94 -31.61 56.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -57.78 -47.1 83.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 t -70.17 -46.65 64.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.8 mt -48.68 149.19 1.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -115.8 158.1 23.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -81.26 -15.36 55.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -81.96 -29.11 32.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -84.93 116.35 23.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.1 t -99.38 -66.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -48.39 -32.87 8.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -68.46 -71.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -39.56 -32.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -79.44 -61.14 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -48.16 -36.13 12.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.0 tp -63.12 -68.74 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.34 -50.3 12.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -52.86 -28.29 22.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -89.3 -58.49 2.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 42.8 mm -52.37 -49.56 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.18 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -45.94 -70.76 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -57.71 -38.18 74.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -50.36 -49.54 53.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -109.72 -64.79 1.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 76' ' ' ALA . 20.3 mt -50.51 -42.48 54.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 99.36 -14.36 60.98 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.54 HG23 ' CD ' ' A' ' 108' ' ' GLN . 83.9 mt -62.72 97.33 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.818 0.342 . . . . 0.0 111.152 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 89.1 p -59.23 132.98 87.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.665 0.745 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 153.12 69.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.254 . . . . 0.0 112.344 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.6 pt -97.37 -23.07 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.089 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 70.1 mtm -145.35 168.15 21.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.6 p -97.06 147.64 23.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.132 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -43.75 -48.31 7.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.445 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.87 -40.9 98.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -65.84 -24.49 66.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 11.1 ttt -78.65 -35.9 44.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.41 -21.17 39.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 96.9 p -81.78 -44.52 16.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.5 p -62.61 148.16 11.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.77 -30.14 36.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.538 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -170.39 126.46 0.7 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.619 0.723 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 168.01 22.83 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.705 2.27 . . . . 0.0 112.306 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -87.43 123.08 31.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -39.08 -59.63 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 101' ' ' SER . 31.1 mt -51.65 -72.66 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 100' ' ' LEU . 56.2 m -36.6 -44.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 88.9 mmm -63.34 -60.2 3.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 38.2 t -49.23 -57.75 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 30.8 mtp -45.48 -51.05 12.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -62.7 -60.64 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.565 HD22 ' CH2' ' A' ' 37' ' ' TRP . 27.9 mt -44.41 -44.56 8.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.945 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 92.4 m -43.76 -50.02 7.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.54 ' CD ' HG23 ' A' ' 82' ' ' ILE . 44.5 mt-30 -40.69 -54.44 2.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -59.72 -53.65 55.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.55 ' CD1' ' N ' ' A' ' 111' ' ' GLU . 1.2 t80 -51.61 -63.32 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.55 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 12.4 mm-40 -42.07 -38.26 1.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 34.2 ttm -70.65 -47.02 62.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.446 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 14.5 m-85 -104.67 33.7 3.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.854 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 110' ' ' TYR . 14.5 pttt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 13' ' ' LYS . 31.9 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.896 0.379 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 12' ' ' SER . 19.0 mttp -37.36 -47.7 0.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.659 HD21 ' HB2' ' A' ' 106' ' ' LEU . 14.2 tp -61.32 -57.62 11.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.959 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.736 ' HB2' HD11 ' A' ' 33' ' ' LEU . 21.0 tp -42.85 -54.32 4.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -37.51 -56.63 1.56 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.496 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.543 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 28.9 t90 -47.92 -64.47 0.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.741 0.305 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.5 m -43.39 -56.0 3.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -46.36 -41.0 12.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.1 mtt-85 -74.71 -46.44 37.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.47 ' HG3' ' CZ2' ' A' ' 17' ' ' TRP . 48.8 mm-40 -65.32 -65.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 79.5 p -46.78 -32.01 3.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -43.31 116.84 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.72 -36.98 2.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -74.48 145.07 43.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.917 0.389 . . . . 0.0 110.881 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.48 126.38 35.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.139 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.24 -17.95 48.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.599 ' O ' HG12 ' A' ' 28' ' ' VAL . 71.3 t -88.92 62.11 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 111.179 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.425 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 12.5 p-10 -88.09 94.4 9.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -77.86 94.2 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.0 p -91.59 -37.9 12.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -131.52 179.87 5.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.736 HD11 ' HB2' ' A' ' 15' ' ' LEU . 86.1 mt -112.01 42.07 1.83 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.0 p -134.44 -69.74 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' TRP . 26.2 ptm -83.32 -39.81 20.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 65.8 m -40.76 -25.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' LYS . 58.9 m95 -103.65 -34.86 8.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' TRP . 8.2 mtpm? -34.67 -51.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.534 ' HA ' HG13 ' A' ' 65' ' ' VAL . 1.5 t -51.79 -55.92 16.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.29 -34.87 3.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.533 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.431 HD11 ' HA ' ' A' ' 62' ' ' GLU . 97.3 mt -44.84 -59.51 2.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.849 0.356 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -39.03 -68.99 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.9 tp -40.62 -39.73 1.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.0 m -68.98 -42.71 76.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.43 -28.8 67.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.06 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.0 mm -67.33 -55.04 18.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.137 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.413 HG12 HD11 ' A' ' 80' ' ' LEU . 78.2 mt -64.78 -41.58 92.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -66.9 -43.1 84.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.1 tpt85 -39.28 -50.9 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -92.68 -52.27 4.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.485 ' HD2' HD11 ' A' ' 54' ' ' LEU . 25.0 mtt85 -116.74 96.23 48.08 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.633 0.73 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -22.86 31.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.252 . . . . 0.0 112.298 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 54' ' ' LEU . 19.9 t0 -64.73 -65.09 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.485 HD11 ' HD2' ' A' ' 51' ' ' ARG . 16.6 mt -34.22 -53.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.463 HD11 HD23 ' A' ' 71' ' ' LEU . 5.8 tt -130.33 135.08 61.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -102.58 104.35 14.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -67.0 -42.12 85.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -50.46 -45.52 56.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.6 t -66.73 -49.16 66.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.417 HD21 ' CD2' ' A' ' 71' ' ' LEU . 89.5 mt -50.44 145.89 5.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -116.17 133.99 55.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.431 ' HA ' HD11 ' A' ' 41' ' ' LEU . 1.8 pm0 -50.82 -36.98 40.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -55.98 -45.22 79.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.458 ' HB2' ' ND2' ' A' ' 68' ' ' ASN . 80.1 m-20 -65.02 114.15 4.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.534 HG13 ' HA ' ' A' ' 39' ' ' SER . 85.8 t -102.25 -66.74 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -51.79 -48.9 63.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 68' ' ' ASN . 0.2 OUTLIER -55.87 -67.07 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.458 ' ND2' ' HB2' ' A' ' 64' ' ' ASN . 5.0 m-80 -35.78 -36.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 65' ' ' VAL . 69.4 m-80 -76.93 -59.38 2.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.447 ' NE2' ' HA ' ' A' ' 70' ' ' GLN . 2.2 tp-100 -47.14 -39.94 14.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.463 HD23 HD11 ' A' ' 55' ' ' ILE . 39.4 tp -57.09 -68.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.27 -50.86 20.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -48.93 -24.6 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -97.09 -55.36 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 43.4 mm -52.47 -48.86 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -45.78 -73.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -52.88 -45.52 67.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -44.16 -53.43 6.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -104.22 -65.12 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 76' ' ' ALA . 13.9 mt -51.5 -50.48 59.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 103.5 8.77 39.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.1 mt -85.01 104.83 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.854 0.359 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.3 t -63.81 132.48 95.24 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.682 0.753 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 156.93 62.0 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.329 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.448 HG13 ' N ' ' A' ' 86' ' ' MET . 29.5 pt -106.02 -35.97 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.448 ' N ' HG13 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -126.29 161.76 27.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 28.0 p -94.64 141.65 28.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.51 -42.71 2.71 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -41.69 96.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.748 0.309 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -67.18 -23.93 65.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 11.8 tpp -79.72 -32.87 41.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.34 -34.99 28.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 m -76.04 -51.52 12.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.425 HG22 ' H ' ' A' ' 96' ' ' GLU . 9.8 p -48.22 136.0 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -68.47 -31.07 73.41 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.48 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.425 ' H ' HG22 ' A' ' 94' ' ' VAL . 45.4 tt0 -172.16 130.01 0.65 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.633 0.73 . . . . 0.0 110.906 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 157.35 60.76 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.639 2.226 . . . . 0.0 112.337 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -80.14 124.58 28.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.421 ' O ' HG23 ' A' ' 103' ' ' VAL . 5.6 tppt? -41.99 -58.96 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.1 mt -45.87 -66.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.0 m -43.61 -56.05 3.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 91.7 mmm -52.2 -63.9 0.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.824 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 99' ' ' LYS . 86.9 t -45.94 -60.28 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.123 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 107' ' ' THR . 16.3 mtm -51.14 -67.41 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.455 ' O ' ' CD ' ' A' ' 108' ' ' GLN . 53.4 t80 -41.6 -46.96 3.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.659 ' HB2' HD21 ' A' ' 14' ' ' LEU . 41.0 mt -63.07 -31.76 72.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.949 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 104' ' ' MET . 54.1 m -40.12 -59.94 1.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.455 ' CD ' ' O ' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -43.51 -53.95 5.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -53.81 -45.19 70.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.438 ' O ' ' N ' ' A' ' 114' ' ' LYS . 2.3 t80 -65.01 -64.34 0.89 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.408 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 64.0 mt-10 -50.35 -29.61 10.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 36.6 tpp -66.39 -32.53 73.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.543 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 28.5 m-85 -129.96 28.49 5.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 110' ' ' TYR . 41.8 pttt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 13' ' ' LYS . 3.3 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.97 0.414 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 12' ' ' SER . 21.7 mmtp -38.12 -47.91 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.763 HD21 ' HB2' ' A' ' 106' ' ' LEU . 34.9 tp -65.85 -53.24 42.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.477 ' HB2' HD11 ' A' ' 33' ' ' LEU . 27.2 tp -46.43 -58.57 3.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -36.53 -57.63 1.17 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.463 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.516 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 20.8 t90 -47.58 -60.99 2.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.757 0.313 . . . . 0.0 110.91 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.7 m -49.46 -47.14 48.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -55.62 -43.36 76.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.5 mtt85 -71.4 -39.4 71.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.405 ' C ' ' N ' ' A' ' 23' ' ' ASP . 41.2 mm-40 -74.52 -67.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.502 HG21 HG21 ' A' ' 30' ' ' VAL . 68.4 p -44.16 -22.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.174 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 21' ' ' GLN . 32.3 t0 -53.08 115.44 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.7 -32.03 2.98 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.465 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.563 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 44.5 m-85 -69.82 174.01 5.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.914 0.388 . . . . 0.0 110.878 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.09 132.91 56.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.14 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.92 -2.12 70.71 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 29' ' ' ASN . 96.1 t -91.26 -74.06 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.338 . . . . 0.0 111.134 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.565 ' O ' HG23 ' A' ' 31' ' ' THR . 43.1 t30 37.34 54.9 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.502 HG21 HG21 ' A' ' 22' ' ' THR . 46.3 t -35.51 125.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 29' ' ' ASN . 65.8 p -120.8 -21.7 6.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -148.23 176.45 10.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.646 HD13 HG22 ' A' ' 103' ' ' VAL . 11.2 mt -115.26 36.98 3.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 p -133.77 -74.35 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.8 mtp -81.22 -44.5 17.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -44.75 -24.23 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.509 ' CD1' ' HA ' ' A' ' 33' ' ' LEU . 53.1 m95 -100.15 -35.47 9.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -41.15 -41.29 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.8 p -54.52 -43.29 71.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.48 -39.3 2.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.492 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.659 HD23 ' OD1' ' A' ' 68' ' ' ASN . 58.1 mt -49.68 -60.12 3.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.337 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -41.73 -56.25 2.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.0 tp -56.0 -41.87 75.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.448 ' SG ' HD13 ' A' ' 60' ' ' LEU . 84.9 m -64.12 -38.95 92.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.563 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -62.38 -24.25 67.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 49.1 mm -69.66 -59.52 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.0 mt -59.73 -38.43 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 9.5 t-80 -74.36 -40.79 61.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -39.0 -42.45 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -98.62 -53.02 3.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.407 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 46.1 mtt-85 -120.16 95.95 49.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.578 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.8 -17.73 37.24 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.657 2.238 . . . . 0.0 112.366 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.44 -53.5 23.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.567 HD22 ' HG3' ' A' ' 79' ' ' GLU . 31.9 mt -46.31 -57.01 4.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.515 HG23 ' HB2' ' A' ' 48' ' ' HIS . 6.4 tt -120.58 145.3 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -106.73 96.65 6.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -74.98 -39.2 61.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -52.03 -44.0 64.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.0 t -71.99 -47.43 52.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.483 HD11 HD23 ' A' ' 71' ' ' LEU . 71.6 mt -49.45 162.08 0.17 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -143.52 175.4 9.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -84.88 -24.97 28.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -60.73 -30.49 70.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.428 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.8 OUTLIER -99.54 85.17 3.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 85.4 t -71.08 -56.11 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -58.76 -43.92 90.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 68' ' ' ASN . 33.5 tttp -58.09 -67.21 0.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.659 ' OD1' HD23 ' A' ' 41' ' ' LEU . 2.8 m-80 -35.58 -37.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 65' ' ' VAL . 75.2 m-80 -78.46 -61.23 2.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -42.05 -44.94 3.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.483 HD23 HD11 ' A' ' 60' ' ' LEU . 34.9 tp -53.58 -67.53 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 74' ' ' ASP . . . -47.3 -54.94 9.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -45.04 -22.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 72' ' ' ALA . 9.1 t0 -99.78 -56.53 2.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.2 -46.87 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -48.52 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.69 -46.14 63.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -43.12 -54.8 4.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.567 ' HG3' HD22 ' A' ' 54' ' ' LEU . 31.9 mm-40 -103.0 -64.46 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 76' ' ' ALA . 15.4 mt -51.92 -48.62 64.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.25 -1.4 43.63 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.521 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.4 mt -75.53 106.78 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 111.104 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.4 p -65.79 131.99 94.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.68 0.752 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 146.22 59.52 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.326 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.448 HG23 ' CD1' ' A' ' 105' ' ' TYR . 39.3 pt -91.45 -21.77 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.2 ptp -152.24 176.01 12.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 58.3 p -102.45 151.44 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -47.48 -39.53 15.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.2 tttm -61.28 -54.69 40.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.746 0.308 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -55.31 -20.68 12.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.0 tpp -85.2 -24.57 27.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.46 -30.73 17.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.9 t -76.75 -49.13 16.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.9 p -56.98 145.99 6.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -73.88 -31.94 59.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -172.65 133.83 0.72 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.596 0.712 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 173.57 10.74 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.242 . . . . 0.0 112.398 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 98' ' ' ASP . 42.9 t0 -92.91 113.15 25.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 103' ' ' VAL . 1.0 OUTLIER -36.49 -49.74 0.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.4 mt -56.71 -68.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.3 m -43.2 -52.38 5.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 79.0 mmm -53.91 -64.91 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.646 HG22 HD13 ' A' ' 33' ' ' LEU . 73.5 t -44.18 -46.43 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 39.5 mtt -60.34 -65.51 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.448 ' CD1' HG23 ' A' ' 85' ' ' ILE . 69.5 t80 -48.76 -36.51 16.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.763 ' HB2' HD21 ' A' ' 14' ' ' LEU . 89.2 mt -68.51 -34.15 75.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.7 m -37.91 -60.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.404 ' OE1' ' O ' ' A' ' 105' ' ' TYR . 0.5 OUTLIER -42.27 -58.02 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -48.2 -38.14 17.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.488 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 1.8 t80 -77.08 -64.94 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.488 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 9.8 mm-40 -47.16 -31.51 3.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 33.4 ttm -66.23 -39.33 89.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.516 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 29.7 m-85 -120.87 31.85 6.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.3 pttp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.943 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.997 0.427 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -39.68 -54.21 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.491 HD21 ' HB2' ' A' ' 106' ' ' LEU . 25.7 tp -57.21 -54.53 45.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.428 ' HA ' HD21 ' A' ' 33' ' ' LEU . 30.0 tp -41.65 -64.6 0.55 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -35.61 -62.46 0.65 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -40.16 -53.9 2.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.771 0.32 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.6 m -61.1 -42.73 99.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.956 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -56.69 -34.08 67.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 -84.02 -48.43 9.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -61.2 -56.82 16.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.8 p -57.39 -26.0 60.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -52.12 121.15 6.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.38 -28.18 4.08 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -74.28 177.16 6.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.854 0.359 . . . . 0.0 110.92 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -101.22 132.19 46.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.095 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.55 27.05 33.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.673 ' O ' HG12 ' A' ' 28' ' ' VAL . 55.5 t -116.65 74.25 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -104.57 104.8 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.5 t -77.86 102.72 4.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.4 m -101.4 -32.7 10.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -138.43 173.14 11.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.428 HD21 ' HA ' ' A' ' 15' ' ' LEU . 2.8 mt -111.93 37.86 2.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.4 p -132.12 -74.88 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.6 ptm -85.31 -31.54 22.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.17 -26.08 4.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.428 ' O ' ' C ' ' A' ' 38' ' ' LYS . 42.0 m95 -101.03 -34.66 9.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 37' ' ' TRP . 6.3 mtpm? -35.6 -39.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.3 t -55.91 -59.64 4.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.72 -40.97 1.66 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.515 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.46 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 89.4 mt -42.29 -67.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.341 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -38.31 -69.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.7 tp -42.74 -40.12 2.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 77.0 m -71.95 -31.32 66.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -73.54 -15.57 61.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.2 mm -77.45 -55.52 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mt -62.09 -44.48 99.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.499 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 45.7 t-80 -64.46 -49.92 69.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 48' ' ' HIS . 18.7 tpt85 -36.5 -50.43 0.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 113' ' ' PHE . 43.0 m-85 -88.79 -53.58 4.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -122.16 95.9 46.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.61 0.719 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.499 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.71 -22.86 31.73 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.353 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -64.84 -47.98 75.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.9 mt -50.34 -66.5 0.38 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.3 tt -113.04 139.58 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -102.43 105.42 15.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.46 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 14.4 t80 -73.94 -53.21 10.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.87 -30.89 4.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.0 t -75.87 -46.95 27.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.731 HD13 ' OD1' ' A' ' 68' ' ' ASN . 46.6 mt -55.25 174.53 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 62' ' ' GLU . 60.4 t0 -140.04 131.09 26.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.41 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 11.3 pt-20 -46.13 -38.58 8.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -58.66 -45.8 88.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -64.85 115.83 5.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.6 t -104.37 -62.11 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -57.65 -21.42 39.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 68' ' ' ASN . 0.1 OUTLIER -80.52 -69.42 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.731 ' OD1' HD13 ' A' ' 60' ' ' LEU . 10.6 m-80 -37.0 -39.97 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -76.43 -58.97 2.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -44.24 -44.25 7.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 38.9 tp -59.43 -67.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.62 -58.21 2.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -45.23 -31.73 1.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -87.69 -62.11 1.57 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.5 mm -46.2 -51.62 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -43.7 -73.4 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.058 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -52.6 -45.75 66.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -43.88 -53.37 6.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -104.44 -65.31 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 76' ' ' ALA . 14.8 mt -51.18 -59.87 3.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.94 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 115.58 1.58 21.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.497 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.478 HG21 ' CE1' ' A' ' 109' ' ' PHE . 58.9 mt -75.57 102.0 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 111.136 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 97.1 p -62.67 124.13 81.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.673 0.749 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 140.23 42.24 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.688 2.259 . . . . 0.0 112.374 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.9 pt -79.57 -26.94 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.081 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 51.6 mtm -147.52 -177.62 5.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.2 p -115.95 150.3 37.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -43.72 -40.6 5.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.01 -45.12 96.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.727 0.299 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -68.7 -36.93 79.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 32.4 ttm -69.57 -32.92 71.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.12 -29.3 54.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.048 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.2 t -80.67 -54.28 5.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.872 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.471 HG22 ' H ' ' A' ' 96' ' ' GLU . 10.4 p -53.51 139.61 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.083 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -69.84 -33.33 70.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.471 ' H ' HG22 ' A' ' 94' ' ' VAL . 19.9 tt0 -167.32 134.01 1.84 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.658 0.742 . . . . 0.0 110.919 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -179.14 2.7 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.347 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -96.77 134.11 40.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -51.04 -57.06 9.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.826 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 101' ' ' SER . 55.5 mt -54.7 -71.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 100' ' ' LEU . 5.6 t -38.0 -50.44 1.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 87.2 mmm -56.65 -62.26 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 43.9 t -47.6 -61.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 44.7 mtt -47.53 -54.5 11.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -54.13 -63.06 1.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.96 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.491 ' HB2' HD21 ' A' ' 14' ' ' LEU . 65.5 mt -46.02 -49.09 16.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.941 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 106' ' ' LEU . 24.6 m -36.56 -48.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -43.52 -46.28 6.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.478 ' CE1' HG21 ' A' ' 82' ' ' ILE . 72.4 m-85 -65.18 -50.68 65.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.495 ' CD1' ' N ' ' A' ' 111' ' ' GLU . 1.0 OUTLIER -54.69 -58.79 6.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.495 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 9.5 mt-10 -51.74 -27.06 10.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 27.0 tpp -77.26 -40.7 43.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 50' ' ' TYR . 23.2 m-85 -109.18 22.99 15.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 110' ' ' TYR . 49.4 pttt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.928 0.394 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -46.48 -47.56 19.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.556 HD21 ' HB2' ' A' ' 106' ' ' LEU . 11.5 tp -61.82 -53.79 51.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.648 ' HB2' HD11 ' A' ' 33' ' ' LEU . 30.4 tp -39.68 -61.47 0.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -38.89 -60.37 1.54 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.474 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 41.5 t90 -42.03 -52.46 4.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.745 0.307 . . . . 0.0 110.955 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.419 ' O ' HG23 ' A' ' 22' ' ' THR . 61.8 m -63.48 -45.51 90.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -57.01 -33.62 67.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -81.89 -49.93 9.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -62.43 -57.49 11.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 18' ' ' CYS . 68.4 p -53.28 -39.71 64.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.409 ' C ' ' OD1' ' A' ' 23' ' ' ASP . 5.1 t0 -43.72 123.24 3.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.1 -32.07 4.09 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.436 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.608 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 16.6 m-85 -63.51 -176.27 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.931 0.396 . . . . 0.0 110.927 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.29 113.1 24.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.07 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.87 28.52 60.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.478 ' O ' HG12 ' A' ' 28' ' ' VAL . 85.1 t -122.76 78.25 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 111.131 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 8.1 p-10 -104.46 105.03 14.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.422 HG22 ' HB3' ' A' ' 36' ' ' SER . 75.6 t -87.57 105.64 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.478 HG23 ' OD2' ' A' ' 32' ' ' ASP . 9.9 t -103.93 -21.31 13.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.167 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.478 ' OD2' HG23 ' A' ' 31' ' ' THR . 26.3 m-20 -150.77 149.01 29.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.648 HD11 ' HB2' ' A' ' 15' ' ' LEU . 8.2 mt -82.27 43.24 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.1 p -132.24 -74.2 0.51 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 37' ' ' TRP . 22.4 ptm -81.19 -38.91 26.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.422 ' HB3' HG22 ' A' ' 30' ' ' VAL . 49.9 m -38.62 -26.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.495 ' N ' ' O ' ' A' ' 35' ' ' MET . 49.2 m95 -102.85 -32.53 9.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 35' ' ' MET . 10.3 mtpt -40.02 -48.19 2.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.4 t -51.13 -55.77 16.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.53 -42.43 1.59 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.498 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.5 mt -45.67 -59.22 2.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -39.44 -70.48 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.1 tp -44.5 -41.49 6.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 79.8 m -66.48 -32.72 74.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.608 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -71.57 -17.02 62.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.4 mm -78.95 -44.72 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.411 ' CG2' ' HB2' ' A' ' 54' ' ' LEU . 97.1 mt -71.29 -38.5 69.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' A' ' 49' ' ' ARG . 11.4 t-80 -72.61 -50.44 25.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' HIS . 14.0 tpt180 -34.9 -42.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -99.37 -51.94 3.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.942 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -122.35 96.71 45.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.599 0.714 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -19.03 36.6 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.65 2.233 . . . . 0.0 112.368 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.83 -55.86 11.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.411 ' HB2' ' CG2' ' A' ' 47' ' ' ILE . 8.2 mt -42.7 -60.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.2 tt -119.42 147.61 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -111.36 98.92 7.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -63.74 -55.47 22.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -42.93 -40.54 3.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 p -68.92 -40.69 78.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.452 HD21 ' CD2' ' A' ' 71' ' ' LEU . 65.0 mt -68.38 146.44 53.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -120.39 139.86 52.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -48.26 -45.33 34.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -47.61 -47.69 28.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.416 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 5.3 m-20 -68.26 110.71 4.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.5 t -98.75 -66.32 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -51.36 -37.2 46.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 68' ' ' ASN . 20.3 tttp -64.96 -69.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 67' ' ' LYS . 5.3 m-80 -36.52 -35.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -79.87 -62.15 1.77 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -44.0 -36.91 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.452 ' CD2' HD21 ' A' ' 60' ' ' LEU . 26.1 tp -63.06 -69.08 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.56 -59.06 1.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -42.39 -32.27 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -88.8 -59.42 2.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 42.9 mm -47.14 -52.33 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -46.1 -72.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -54.36 -33.62 59.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -59.26 -44.14 92.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -112.53 -65.01 1.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 76' ' ' ALA . 19.6 mt -51.15 -46.26 61.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 103.17 -7.57 52.16 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.486 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.464 HG23 ' CD ' ' A' ' 108' ' ' GLN . 63.6 mt -71.64 108.84 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.361 . . . . 0.0 111.137 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 76.9 p -67.55 129.11 93.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.641 0.734 . . . . 0.0 110.814 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 147.65 63.35 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.529 HD12 ' HB3' ' A' ' 101' ' ' SER . 30.2 pt -92.85 -33.34 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.15 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -128.99 174.74 9.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 88' ' ' GLY . 78.2 p -117.28 142.0 47.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.73 -46.95 0.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -47.41 81.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 87' ' ' THR . 4.5 mm-40 -66.63 -21.98 66.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.7 ttm -83.8 -37.24 22.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.42 -27.58 46.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.7 m -83.77 -54.85 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.1 p -52.59 138.47 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.75 -40.14 95.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.464 ' CG ' ' HD2' ' A' ' 97' ' ' PRO . 24.3 tt0 -162.41 139.04 5.98 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.626 0.726 . . . . 0.0 110.879 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 53.7 Cg_endo -69.8 176.85 6.26 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.659 2.239 . . . . 0.0 112.324 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -102.07 124.87 48.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.831 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.539 ' O ' HG23 ' A' ' 103' ' ' VAL . 13.7 tppt? -41.33 -52.1 3.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.8 mt -54.24 -65.34 0.59 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.529 ' HB3' HD12 ' A' ' 85' ' ' ILE . 60.4 m -46.89 -52.82 13.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.413 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 84.8 mmm -53.64 -63.4 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 99' ' ' LYS . 94.3 t -50.5 -63.17 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.7 mtt -46.49 -49.69 18.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.462 ' HB2' HD13 ' A' ' 85' ' ' ILE . 32.8 t80 -59.74 -66.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.556 ' HB2' HD21 ' A' ' 14' ' ' LEU . 44.5 mt -43.13 -48.14 6.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 106' ' ' LEU . 89.5 m -34.96 -47.36 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.464 ' CD ' HG23 ' A' ' 82' ' ' ILE . 51.2 mt-30 -47.03 -47.34 22.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 106' ' ' LEU . 66.8 m-85 -67.63 -49.33 63.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.481 ' O ' ' N ' ' A' ' 114' ' ' LYS . 1.4 t80 -53.97 -60.64 3.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.478 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 13.8 mt-10 -49.51 -30.89 9.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 22.9 tpp -74.54 -35.93 63.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.474 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 23.8 m-85 -113.74 24.95 11.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 110' ' ' TYR . 11.0 pttp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 13' ' ' LYS . 2.4 m . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.922 0.392 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 12' ' ' SER . 16.9 mmtp -34.76 -49.19 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 tp -57.8 -56.94 15.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.6 tp -41.1 -57.22 2.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.88 -59.4 2.07 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.478 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.44 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 31.3 t90 -39.73 -48.47 2.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.737 0.303 . . . . 0.0 110.932 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.2 m -65.91 -48.78 70.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -54.7 -36.15 64.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -79.93 -49.2 12.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -61.69 -60.09 4.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.8 p -51.79 -30.39 22.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -44.75 124.18 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.26 -29.34 5.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.519 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -75.11 -177.15 3.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.936 0.398 . . . . 0.0 110.91 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.55 118.89 35.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.057 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.93 28.87 74.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.497 ' O ' ' N ' ' A' ' 30' ' ' VAL . 39.7 t -117.87 -20.93 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 111.144 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 28' ' ' VAL . 13.5 t30 -36.79 93.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 28' ' ' VAL . 72.9 t -59.53 133.04 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.6 p -118.46 -26.23 6.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -140.72 -175.51 4.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.431 HD13 HG22 ' A' ' 103' ' ' VAL . 41.1 mt -119.23 31.98 6.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.5 p -132.49 -72.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.173 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 38' ' ' LYS . 17.6 mtp -79.22 -46.21 18.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.1 m -38.73 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.455 ' CH2' HD22 ' A' ' 106' ' ' LEU . 77.3 m95 -96.53 -33.22 11.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 35' ' ' MET . 8.7 mtpm? -38.9 -45.23 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.3 t -53.06 -59.52 4.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.06 -37.48 2.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 42' ' ' ALA . 83.2 mt -45.9 -59.12 3.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.446 ' HA ' HG13 ' A' ' 28' ' ' VAL . . . -35.89 -70.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.085 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.6 tp -43.2 -43.8 4.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 67.6 m -64.83 -36.6 84.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.34 -8.28 54.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.5 mm -87.59 -41.46 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 81.4 mt -76.08 -41.17 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.45 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 11.6 t-80 -68.44 -40.97 80.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.6 tpt85 -40.01 -42.04 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -101.69 -52.36 3.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.469 ' NE ' HD11 ' A' ' 54' ' ' LEU . 15.6 mtm180 -122.24 95.7 46.95 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 110.85 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.45 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 54.4 Cg_endo -69.75 -26.07 28.02 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.717 2.278 . . . . 0.0 112.381 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -58.16 -49.54 76.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.469 HD11 ' NE ' ' A' ' 51' ' ' ARG . 16.2 mt -50.4 -65.75 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.5 tt -114.08 132.32 63.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -97.2 105.11 17.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -70.11 -46.83 64.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -51.19 -41.89 60.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.5 p -65.17 -39.06 92.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.436 HD13 ' OD1' ' A' ' 68' ' ' ASN . 88.2 mt -66.49 168.18 9.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -148.32 131.51 16.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.417 ' CD ' ' N ' ' A' ' 63' ' ' GLN . 3.1 pp20? -39.91 -45.37 1.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.417 ' N ' ' CD ' ' A' ' 62' ' ' GLU . 72.4 mt-30 -42.09 -53.27 4.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.402 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 5.7 m-20 -69.92 115.09 8.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.42 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 73.6 t -101.25 -59.32 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.147 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -58.27 -42.2 86.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 68' ' ' ASN . 15.4 ttpp -58.71 -66.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.436 ' OD1' HD13 ' A' ' 60' ' ' LEU . 6.3 m-80 -36.12 -42.79 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 65' ' ' VAL . 71.5 m-80 -72.13 -61.84 1.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -43.24 -40.58 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 32.7 tp -61.65 -68.64 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.83 -50.31 4.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -51.79 -35.29 43.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -82.73 -57.6 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.2 mm -51.37 -54.54 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -44.94 -66.59 0.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -57.55 -35.73 70.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -57.63 -47.02 83.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -108.02 -66.28 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 76' ' ' ALA . 32.6 mt -49.32 -41.58 38.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 97.45 -7.97 64.05 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.681 HG23 ' CD ' ' A' ' 108' ' ' GLN . 71.2 mt -70.25 111.85 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 111.117 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.8 p -68.13 131.62 92.08 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.705 0.764 . . . . 0.0 110.824 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 136.72 33.56 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.638 2.225 . . . . 0.0 112.33 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.9 pt -85.56 -24.44 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 75.2 mtm -141.18 163.8 31.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 88' ' ' GLY . 81.7 p -101.34 138.29 38.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -35.5 -41.66 0.38 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.46 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -62.64 -52.39 63.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.751 0.31 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -58.44 -32.49 68.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.7 tpt -71.9 -37.79 70.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.83 -26.41 40.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.075 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.2 t -83.13 -51.99 7.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.1 p -50.06 150.94 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.07 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -80.51 -36.18 24.01 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.458 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -165.48 131.67 2.09 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.619 0.723 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.41 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 53.1 Cg_endo -69.78 171.27 14.78 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.31 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -96.56 128.97 44.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.583 ' O ' HG23 ' A' ' 103' ' ' VAL . 10.9 tppt? -47.62 -47.71 28.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.3 mt -56.79 -72.15 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.1 p -41.73 -54.6 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.41 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 89.8 mmm -51.08 -62.49 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 99' ' ' LYS . 69.7 t -49.63 -56.44 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 59.7 mtm -50.26 -61.98 1.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -48.86 -61.51 2.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 108' ' ' GLN . 22.9 mt -46.78 -49.53 19.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.7 m -38.15 -28.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.681 ' CD ' HG23 ' A' ' 82' ' ' ILE . 48.8 mt-30 -63.65 -46.76 84.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 106' ' ' LEU . 50.8 m-85 -66.55 -43.17 85.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 114' ' ' LYS . 2.5 t80 -60.85 -61.83 2.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.949 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.458 ' HA ' ' CD ' ' A' ' 114' ' ' LYS . 15.9 mt-10 -52.9 -23.36 6.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 16.5 tpp -78.8 -26.7 44.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.44 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 21.1 m-85 -131.32 29.81 4.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.458 ' CD ' ' HA ' ' A' ' 111' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.915 0.388 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -42.42 84.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.1 tp -67.56 -46.29 73.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 16' ' ' GLY . 53.7 tp -47.68 -64.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -35.15 -53.89 0.92 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.465 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -51.63 -55.22 20.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.749 0.309 . . . . 0.0 110.914 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.762 ' O ' HG23 ' A' ' 22' ' ' THR . 78.1 m -55.42 -36.95 67.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -71.42 -35.53 71.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -78.12 -30.91 49.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -84.7 -53.93 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.762 HG23 ' O ' ' A' ' 18' ' ' CYS . 30.8 p -60.53 -11.94 8.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.88 124.87 21.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.56 -31.13 4.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.491 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 60.7 m-85 -75.07 170.56 15.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.893 0.378 . . . . 0.0 110.887 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -111.59 127.06 55.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.128 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.01 -32.64 5.74 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.419 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.875 HG12 HG23 ' A' ' 30' ' ' VAL . 16.5 t -53.74 -68.48 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 111.124 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 28' ' ' VAL . 24.3 t30 34.49 46.03 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.875 HG23 HG12 ' A' ' 28' ' ' VAL . 51.6 t -44.42 106.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.421 HG23 ' CG ' ' A' ' 32' ' ' ASP . 8.9 t -106.56 -35.57 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.421 ' CG ' HG23 ' A' ' 31' ' ' THR . 9.0 m-20 -128.7 148.53 50.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.413 HD21 ' HA ' ' A' ' 15' ' ' LEU . 3.1 mt -85.77 40.66 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.3 p -131.38 -73.01 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 38' ' ' LYS . 8.3 ptp -78.54 -42.59 28.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.445 ' HB3' HG22 ' A' ' 30' ' ' VAL . 67.7 m -35.11 -33.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.701 ' CH2' HD22 ' A' ' 106' ' ' LEU . 37.1 m95 -95.84 -36.27 11.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 35' ' ' MET . 20.4 mtpp -35.5 -52.29 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.4 p -54.02 -58.64 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.37 -36.3 2.61 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.9 mt -44.81 -57.49 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.795 0.331 . . . . 0.0 110.938 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -41.43 -71.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.9 tp -42.26 -45.23 4.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 83.4 m -65.33 -32.02 73.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.491 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -75.59 -24.63 56.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.522 HD11 ' CG2' ' A' ' 22' ' ' THR . 30.4 mm -72.27 -55.64 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.44 HG12 HD11 ' A' ' 80' ' ' LEU . 52.5 mt -58.14 -44.97 88.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.436 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 19.3 t-80 -66.31 -46.1 78.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 48' ' ' HIS . 19.1 tpt180 -36.0 -44.8 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 113' ' ' PHE . 15.0 m-85 -96.75 -52.52 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.8 mmt-85 -120.86 95.65 48.88 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.576 0.703 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.436 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.77 -20.24 35.06 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.81 -51.2 63.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.576 ' CD1' HD21 ' A' ' 80' ' ' LEU . 37.2 mt -49.3 -56.49 9.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.429 HD11 HD23 ' A' ' 71' ' ' LEU . 8.5 tt -127.78 143.36 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -107.86 106.18 16.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.437 ' HA ' HD12 ' A' ' 60' ' ' LEU . 31.5 t80 -76.63 -31.3 57.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -65.96 -17.84 64.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -95.38 -41.5 8.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.452 HD21 ' CD2' ' A' ' 71' ' ' LEU . 32.1 mt -56.67 151.4 13.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.473 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 4.7 m-20 -116.29 131.01 57.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -46.98 -49.48 20.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' ' 64' ' ' ASN . 5.5 pt20 -46.43 -34.06 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.501 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 52.5 m-20 -74.39 109.74 8.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.413 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 56.1 t -100.47 -68.12 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -54.39 -36.47 63.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -66.04 -63.51 1.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 64' ' ' ASN . 4.9 m-80 -39.46 -30.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 65' ' ' VAL . 71.0 m-80 -83.4 -62.32 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.835 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -42.53 -34.75 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.452 ' CD2' HD21 ' A' ' 60' ' ' LEU . 43.8 tp -67.31 -66.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.3 -57.24 4.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.402 ' HD1' ' HH ' ' A' ' 105' ' ' TYR . 17.5 m-85 -45.42 -23.15 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -95.7 -60.19 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.2 mm -50.98 -48.71 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -46.55 -72.56 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -53.59 -45.81 70.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.411 ' HA ' ' NZ ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -42.75 -54.66 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -103.99 -64.08 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.576 HD21 ' CD1' ' A' ' 54' ' ' LEU . 16.3 mt -51.47 -50.0 60.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 106.65 -3.99 36.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.601 HG23 ' NE2' ' A' ' 108' ' ' GLN . 79.5 mt -71.91 101.53 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.809 0.338 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.8 t -64.48 131.84 95.2 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.64 0.733 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 149.39 66.86 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.4 pt -97.13 -26.46 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.3 mtm -135.67 -174.99 3.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 35.0 p -115.51 146.98 41.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -44.54 -45.24 8.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -66.08 -42.04 89.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.778 0.323 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -66.33 -25.74 66.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 17.2 tpp -78.45 -35.63 46.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -83.27 -19.87 35.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.05 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 t -87.92 -47.65 8.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.1 p -54.53 154.89 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.1 -43.97 7.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -156.25 133.44 6.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.663 0.744 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.434 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 54.0 Cg_endo -69.81 176.73 6.42 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.31 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 99' ' ' LYS . 46.2 t0 -98.79 114.46 27.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.421 ' O ' HG23 ' A' ' 103' ' ' VAL . 27.4 tptt -35.5 -50.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.8 mt -57.78 -74.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.8 t -38.24 -45.19 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.797 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.434 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 94.3 mmm -61.36 -62.89 1.5 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 99' ' ' LYS . 57.6 t -49.17 -50.58 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.421 ' O ' ' N ' ' A' ' 107' ' ' THR . 63.5 mtm -59.72 -73.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 104' ' ' MET . 55.8 t80 -37.13 -44.01 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.701 HD22 ' CH2' ' A' ' 37' ' ' TRP . 31.3 mt -65.49 -45.7 82.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.945 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 104' ' ' MET . 18.1 m -36.47 -45.99 0.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.601 ' NE2' HG23 ' A' ' 82' ' ' ILE . 44.4 mt-30 -46.32 -51.62 14.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.445 ' CE1' HG21 ' A' ' 82' ' ' ILE . 76.3 m-85 -59.84 -48.74 80.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 114' ' ' LYS . 2.9 t80 -57.64 -65.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.445 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 35.8 mt-10 -48.34 -28.87 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 20.1 tpp -74.18 -36.15 64.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.56 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 27.8 m-85 -112.57 18.17 18.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 110' ' ' TYR . 51.1 pttt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.7 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.932 0.396 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.14 -42.92 51.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.74 HD21 ' HB2' ' A' ' 106' ' ' LEU . 40.7 tp -53.02 -48.46 67.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.597 ' HB2' HD11 ' A' ' 33' ' ' LEU . 25.9 tp -47.52 -55.95 8.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.47 -58.28 4.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.45 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 51.4 t90 -42.13 -52.38 4.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.762 0.315 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 66.5 m -61.99 -52.27 64.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.474 HE21 HD11 ' A' ' 15' ' ' LEU . 35.7 mt-30 -47.8 -42.58 26.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -75.71 -49.16 19.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -59.75 -64.4 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.2 p -47.05 -44.39 20.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -37.94 128.44 1.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.87 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.61 -30.92 5.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -71.61 -177.83 2.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 0.0 110.912 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.07 121.38 43.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.52 25.64 70.28 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.481 ' O ' HG12 ' A' ' 28' ' ' VAL . 85.9 t -121.15 71.72 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.849 0.357 . . . . 0.0 111.115 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 29' ' ' ASN . 38.5 t-20 -104.33 90.85 3.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.27 105.24 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.9 p -106.42 -37.17 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -117.18 -175.01 2.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.597 HD11 ' HB2' ' A' ' 15' ' ' LEU . 49.5 mt -121.86 20.3 10.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.2 p -130.41 -72.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 95.6 mtp -69.92 -38.67 76.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.8 t -44.29 -35.4 2.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.414 ' CH2' HD22 ' A' ' 106' ' ' LEU . 48.4 m95 -93.57 -33.05 13.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.97 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -39.4 -37.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.7 t -60.72 -58.89 6.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.22 -36.36 2.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.61 HD21 ' HA ' ' A' ' 62' ' ' GLU . 94.8 mt -47.27 -65.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.948 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -37.79 -69.71 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 tp -40.26 -43.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 79.9 m -67.33 -40.17 85.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -64.47 -29.25 70.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.06 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.3 mm -64.66 -54.33 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.547 HG12 HD11 ' A' ' 80' ' ' LEU . 34.7 mt -62.26 -46.53 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 15.6 t-80 -65.45 -40.77 93.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.825 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.2 tpt85 -39.75 -42.63 1.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -102.69 -50.53 3.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.4 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 46.5 mmt-85 -120.58 95.76 48.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.589 0.709 . . . . 0.0 110.85 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.552 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.7 -27.7 26.46 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.695 2.263 . . . . 0.0 112.398 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -55.28 36.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 29.2 mt -43.93 -62.65 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.9 tt -115.08 132.25 64.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -99.19 90.87 4.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.601 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 14.3 t80 -66.2 -30.71 71.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.14 -38.76 80.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.9 t -74.22 -44.25 53.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.547 HD21 ' CD2' ' A' ' 71' ' ' LEU . 90.7 mt -53.63 166.9 0.27 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -132.83 140.88 48.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.61 ' HA ' HD21 ' A' ' 41' ' ' LEU . 11.0 pt-20 -54.53 -44.01 72.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -56.36 -43.58 79.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -64.34 111.99 2.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.1 t -101.38 -65.14 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -51.94 -27.92 14.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.7 OUTLIER -76.4 -67.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 67' ' ' LYS . 3.7 m-80 -35.43 -32.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 67' ' ' LYS . 80.8 m-20 -83.58 -60.31 2.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -44.16 -39.56 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.547 ' CD2' HD21 ' A' ' 60' ' ' LEU . 25.1 tp -62.73 -67.45 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.4 -58.67 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -43.79 -26.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -93.61 -58.92 2.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.807 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.4 mm -50.58 -50.31 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -46.45 -72.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -54.04 -39.73 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -50.21 -49.42 52.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -109.58 -65.81 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.547 HD11 HG12 ' A' ' 47' ' ' ILE . 42.5 mt -47.45 -48.12 26.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 105.53 -5.45 40.79 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.494 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.64 HG23 ' NE2' ' A' ' 108' ' ' GLN . 58.6 mt -74.48 103.22 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.812 0.339 . . . . 0.0 111.145 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.9 p -62.24 132.7 94.06 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.685 0.755 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 131.53 21.38 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 2.268 . . . . 0.0 112.365 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 28.4 pt -76.62 -21.45 14.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 68.9 mtm -148.84 168.75 22.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 90' ' ' GLU . 28.8 p -100.72 141.34 33.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.136 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -37.12 -44.89 1.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.524 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -61.45 -40.22 93.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.742 0.306 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 87' ' ' THR . 27.9 mm-40 -67.77 -29.25 68.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.2 ttt -77.95 -23.32 48.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -88.91 -24.23 22.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.3 t -87.78 -46.8 9.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.8 p -56.57 150.93 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -82.41 -34.99 21.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.445 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -163.46 134.78 3.65 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.598 0.713 . . . . 0.0 110.932 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 157.16 61.35 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.701 2.267 . . . . 0.0 112.374 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 99' ' ' LYS . 24.2 t0 -81.08 114.4 19.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 98' ' ' ASP . 18.9 tptm -33.98 -73.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 99' ' ' LYS . 50.3 mt -37.46 -54.74 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.0 m -55.24 -41.89 72.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.574 ' HE3' HD11 ' A' ' 106' ' ' LEU . 90.4 mmm -66.3 -61.29 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 85.3 t -47.98 -54.42 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 64.0 mtm -56.28 -71.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -40.74 -47.58 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.74 ' HB2' HD21 ' A' ' 14' ' ' LEU . 71.1 mt -62.38 -39.74 94.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 39.6 m -47.43 -32.99 5.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.64 ' NE2' HG23 ' A' ' 82' ' ' ILE . 41.3 mt-30 -58.52 -43.87 89.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -70.11 -43.06 71.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 114' ' ' LYS . 1.8 t80 -63.88 -63.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.474 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 9.6 mm-40 -45.27 -37.43 4.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 12.5 ttp -72.51 -41.2 66.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -105.65 28.44 7.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 110' ' ' TYR . 14.4 pttp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.883 0.373 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt -45.09 -50.5 11.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.598 HD21 ' HB2' ' A' ' 106' ' ' LEU . 44.8 tp -58.65 -49.36 77.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.47 ' HB2' HD11 ' A' ' 33' ' ' LEU . 41.2 tp -44.87 -59.49 2.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -40.39 -53.15 3.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.512 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 57.2 t90 -51.97 -56.08 16.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.765 0.317 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.4 m -56.44 -49.94 73.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -51.67 -40.52 60.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.1 mmt-85 -73.88 -51.92 14.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -61.66 -63.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.473 HG21 HG21 ' A' ' 30' ' ' VAL . 82.0 p -46.98 -38.39 10.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 22' ' ' THR . 18.2 t70 -36.91 130.96 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.51 -39.3 2.61 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.458 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -70.03 174.88 4.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.896 0.379 . . . . 0.0 110.925 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.88 137.57 51.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.116 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.15 -38.15 3.08 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.71 HG12 HG23 ' A' ' 30' ' ' VAL . 84.2 t -50.35 -67.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.629 ' O ' HG23 ' A' ' 31' ' ' THR . 9.9 t-20 33.84 51.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.71 HG23 HG12 ' A' ' 28' ' ' VAL . 84.5 t -44.08 109.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 29' ' ' ASN . 70.0 p -106.51 -38.63 6.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -126.22 -175.13 3.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.521 HD23 ' HE1' ' A' ' 37' ' ' TRP . 69.2 mt -121.31 27.21 8.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.2 p -125.02 -66.1 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 37' ' ' TRP . 12.2 ptp -88.44 -41.94 12.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' MET . 5.4 p -37.47 -30.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.521 ' HE1' HD23 ' A' ' 33' ' ' LEU . 60.9 m95 -98.77 -34.58 10.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 37' ' ' TRP . 5.5 mtpm? -34.33 -44.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.615 ' HA ' HG13 ' A' ' 65' ' ' VAL . 36.1 p -57.54 -59.6 4.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.07 -42.09 1.47 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.466 HD21 ' HA ' ' A' ' 62' ' ' GLU . 38.3 mt -42.45 -49.1 5.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.354 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.88 -57.85 8.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 tp -57.23 -47.91 80.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.5 m -60.2 -35.01 74.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.26 -32.09 73.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.058 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 37.1 mm -65.86 -51.19 64.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.4 mt -63.14 -44.1 99.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.522 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 9.5 t-80 -66.8 -49.51 65.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' HIS . 14.8 tpt180 -34.03 -52.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.412 ' CE2' ' HB3' ' A' ' 113' ' ' PHE . 7.6 m-85 -87.6 -46.71 9.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 44.7 mmt-85 -129.83 96.75 25.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.563 0.697 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.522 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.81 -33.67 15.95 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.66 -57.69 9.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 35.7 mt -42.57 -61.53 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.4 tt -121.84 133.4 68.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -98.4 103.73 15.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -72.65 -55.21 7.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -43.68 -41.28 4.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.7 m -67.11 -48.81 67.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.688 HD13 ' OD1' ' A' ' 68' ' ' ASN . 83.9 mt -52.73 156.11 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.445 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 3.7 m-20 -116.8 139.4 50.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.466 ' HA ' HD21 ' A' ' 41' ' ' LEU . 7.1 pt-20 -55.59 -36.92 67.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -57.65 -46.28 84.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.445 ' ND2' ' HB2' ' A' ' 61' ' ' ASP . 60.0 m-20 -66.72 113.0 4.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.615 HG13 ' HA ' ' A' ' 39' ' ' SER . 96.8 t -101.04 -63.36 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -56.14 -38.39 70.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -60.98 -62.33 1.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.688 ' OD1' HD13 ' A' ' 60' ' ' LEU . 8.7 m-80 -43.18 -45.0 5.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -68.47 -59.74 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -43.78 -47.29 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.0 tp -59.53 -68.47 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.24 -56.52 5.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.067 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -44.39 -34.47 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -84.82 -60.96 1.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.3 mm -47.47 -54.27 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -41.73 -69.09 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.083 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.431 ' HA ' ' C ' ' A' ' 81' ' ' GLY . 15.8 tt0 -56.78 -40.25 75.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -51.1 -50.01 59.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -106.01 -65.19 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 76' ' ' ALA . 34.4 mt -52.19 -40.19 61.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.431 ' C ' ' HA ' ' A' ' 77' ' ' GLU . . . 102.04 -19.54 48.81 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.537 HD13 ' CD1' ' A' ' 109' ' ' PHE . 73.5 mt -60.94 100.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 111.103 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.8 t -63.24 132.06 94.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.673 0.749 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 127.38 14.51 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 86' ' ' MET . 28.1 pt -65.95 -30.83 51.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.423 ' N ' HG13 ' A' ' 85' ' ' ILE . 6.3 ptp -152.69 159.0 43.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 70.2 p -80.74 150.87 29.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -48.38 -44.52 28.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.524 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.76 -58.13 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.311 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -54.82 -41.47 70.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.7 tpp -57.72 -32.6 67.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.0 -38.37 36.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.6 m -70.04 -54.98 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 94' ' ' VAL . 7.8 p -50.56 130.39 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.88 -47.8 87.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.541 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -149.95 134.31 9.22 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.651 0.739 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 172.36 12.82 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.308 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 99' ' ' LYS . 29.9 t0 -94.99 114.98 26.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.434 ' O ' HG23 ' A' ' 103' ' ' VAL . 18.8 tptm -35.12 -50.01 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 15.4 mt -55.25 -65.93 0.5 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 t -46.16 -45.64 16.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 89.8 mmm -60.43 -62.86 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 99' ' ' LYS . 96.3 t -51.19 -57.33 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 41.2 mtm -51.05 -58.8 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -49.6 -61.95 1.83 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.598 ' HB2' HD21 ' A' ' 14' ' ' LEU . 96.8 mt -49.13 -50.22 38.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 106' ' ' LEU . 35.2 m -33.04 -52.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.419 ' CD ' HG23 ' A' ' 82' ' ' ILE . 54.3 mt-30 -39.98 -58.93 1.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.537 ' CD1' HD13 ' A' ' 82' ' ' ILE . 79.2 m-85 -52.61 -48.44 66.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.516 ' CD1' ' N ' ' A' ' 111' ' ' GLU . 0.8 OUTLIER -56.98 -58.63 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.867 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.516 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 33.9 mt-10 -50.81 -37.9 45.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 19.7 ttp -71.71 -43.38 66.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.412 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 19.9 m-85 -105.93 35.9 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 110' ' ' TYR . 16.9 pttp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 13' ' ' LYS . 16.0 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.899 0.38 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 12' ' ' SER . 40.9 tptt -34.43 -55.49 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.518 HD21 ' HB2' ' A' ' 106' ' ' LEU . 13.4 tp -55.47 -56.08 24.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.723 ' HB2' HD11 ' A' ' 33' ' ' LEU . 17.9 tp -43.69 -59.59 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -36.59 -49.05 1.31 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.451 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 37.1 t90 -52.2 -52.71 50.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.717 0.294 . . . . 0.0 110.912 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 73.4 m -58.88 -54.68 44.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -48.68 -38.09 20.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -76.11 -47.97 22.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -66.59 -64.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.4 p -44.2 -34.4 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -39.9 120.71 1.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.15 -33.68 2.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.473 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -77.32 148.55 35.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.901 0.381 . . . . 0.0 110.936 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.86 126.69 36.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.35 -20.97 27.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.695 ' O ' HG12 ' A' ' 28' ' ' VAL . 97.8 t -82.63 60.86 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 111.102 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.424 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 11.3 p-10 -87.28 89.33 7.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.9 t -74.48 98.64 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.581 HG23 ' OD2' ' A' ' 32' ' ' ASP . 7.8 t -105.55 -20.69 13.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.581 ' OD2' HG23 ' A' ' 31' ' ' THR . 0.5 OUTLIER -145.54 144.46 30.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 15' ' ' LEU . 85.5 mt -84.0 39.85 0.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.2 p -134.8 -63.36 0.7 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.436 ' O ' ' N ' ' A' ' 38' ' ' LYS . 6.4 mtt -85.63 -40.82 15.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.3 m -42.87 -25.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.569 ' HE1' HD23 ' A' ' 33' ' ' LEU . 57.7 m95 -102.79 -26.74 13.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 35' ' ' MET . 6.2 mtpm? -47.32 -39.74 15.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.8 p -65.89 -40.82 91.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.16 -34.83 5.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.48 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 97.3 mt -43.41 -62.78 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -35.58 -71.27 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 43' ' ' LEU . 12.7 tp -43.7 -41.33 4.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 44.5 m -66.7 -36.13 81.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.92 -25.78 61.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.052 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.1 mm -67.47 -52.43 41.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.63 HG12 HD11 ' A' ' 80' ' ' LEU . 85.5 mt -64.77 -43.77 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.526 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 26.9 t-80 -63.31 -44.76 94.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.8 tpt85 -37.93 -51.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -90.57 -52.35 4.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.482 ' HD2' HD11 ' A' ' 54' ' ' LEU . 39.6 mtt-85 -120.73 95.79 48.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.526 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.78 -18.14 37.09 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.316 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -70.03 -55.84 8.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.648 HD22 ' HG3' ' A' ' 79' ' ' GLU . 29.1 mt -41.99 -57.93 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.7 tt -121.41 147.89 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -111.49 105.52 14.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.48 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 35.2 t80 -78.39 -47.44 17.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -48.1 -37.91 16.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 t -74.94 -50.68 15.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.521 HD13 ' OD1' ' A' ' 68' ' ' ASN . 43.7 mt -49.95 169.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -140.13 154.41 46.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -70.9 -37.78 72.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -55.33 -31.4 61.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -89.6 114.99 26.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 87.2 t -101.04 -68.51 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -45.18 -34.9 2.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 68' ' ' ASN . 5.9 mptt -66.36 -75.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.521 ' OD1' HD13 ' A' ' 60' ' ' LEU . 13.3 m-80 -34.88 -45.07 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -62.88 -61.94 2.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -45.7 -42.66 11.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.5 tp -58.35 -69.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.03 -56.84 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -46.0 -25.39 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -94.22 -61.46 1.52 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.2 mm -48.4 -48.45 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.104 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -47.64 -71.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -51.96 -36.68 50.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -58.07 -47.31 83.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.648 ' HG3' HD22 ' A' ' 54' ' ' LEU . 34.9 mm-40 -107.63 -70.17 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.63 HD11 HG12 ' A' ' 47' ' ' ILE . 20.5 mt -47.68 -32.18 5.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.3 8.79 84.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.487 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.535 HG23 ' CD ' ' A' ' 108' ' ' GLN . 87.7 mt -86.82 111.43 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.872 0.368 . . . . 0.0 111.124 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.8 m -67.04 130.63 93.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.636 0.731 . . . . 0.0 110.848 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 137.32 35.06 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.654 2.236 . . . . 0.0 112.371 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.42 HD13 ' HB2' ' A' ' 105' ' ' TYR . 15.9 pt -86.69 -23.88 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 58.9 mtm -137.15 169.35 17.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 39.6 p -110.77 146.38 36.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.44 -47.24 3.69 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.5 -58.88 6.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -52.62 -31.64 37.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 3.5 tpp -69.82 -42.64 73.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.52 -17.06 60.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 m -87.14 -45.56 10.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.478 HG22 ' H ' ' A' ' 96' ' ' GLU . 9.9 p -61.98 141.51 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.112 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.3 -29.91 59.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.478 ' H ' HG22 ' A' ' 94' ' ' VAL . 31.1 tt0 -169.48 130.52 1.01 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.898 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.469 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 53.8 Cg_endo -69.73 164.38 34.72 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.377 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -90.34 129.79 36.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.829 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -45.98 -60.61 2.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 61.3 mt -47.78 -66.47 0.4 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.4 m -44.08 -55.75 4.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.469 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 87.3 mmm -52.15 -63.8 1.02 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.9 t -46.15 -51.81 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 17.4 mtt -52.96 -56.26 17.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.42 ' HB2' HD13 ' A' ' 85' ' ' ILE . 29.1 t80 -57.01 -58.84 6.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.518 ' HB2' HD21 ' A' ' 14' ' ' LEU . 21.8 mt -47.6 -48.99 28.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 106' ' ' LEU . 99.2 m -34.06 -49.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.535 ' CD ' HG23 ' A' ' 82' ' ' ILE . 53.7 mt-30 -47.78 -46.58 30.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 106' ' ' LEU . 65.9 m-85 -65.1 -32.01 73.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.519 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 1.6 t80 -75.71 -63.89 1.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.519 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 45.5 mt-10 -46.39 -25.05 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 47.0 tpp -76.48 -35.85 58.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.451 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 29.8 m-85 -123.49 29.69 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 110' ' ' TYR . 44.7 pttt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.999 0.428 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.38 -53.73 16.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.946 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.503 HD21 ' CB ' ' A' ' 106' ' ' LEU . 13.7 tp -60.38 -46.54 89.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 16' ' ' GLY . 23.7 tp -46.47 -63.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -34.35 -55.48 0.75 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.492 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.517 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 53.7 t90 -47.41 -55.79 8.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.764 0.316 . . . . 0.0 110.931 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 81.4 m -57.49 -50.03 74.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -49.28 -38.7 28.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -78.83 -49.76 12.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -60.38 -62.48 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' ASP . 66.6 p -48.94 -43.66 39.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' THR . 7.2 t70 -36.71 133.48 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.02 -37.56 3.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -61.54 -178.62 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.913 0.387 . . . . 0.0 110.91 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.19 109.24 18.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.46 21.97 57.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.503 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.6 t -115.88 72.83 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 111.156 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -98.18 111.31 23.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.8 t -89.99 111.7 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.4 p -111.71 -39.04 4.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 36' ' ' SER . 5.4 m-20 -142.96 139.71 30.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.7 mt -75.67 48.26 0.45 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.2 p -135.03 -72.49 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' LYS . 32.0 mtp -84.98 -46.58 11.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 35' ' ' MET . 12.9 t -35.87 -33.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.527 ' CH2' HD22 ' A' ' 106' ' ' LEU . 48.6 m95 -93.91 -37.92 11.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.949 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 35' ' ' MET . 5.0 mtpm? -34.4 -40.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.3 p -60.38 -54.29 47.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.26 -39.79 2.21 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.524 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.481 HD11 ' HA ' ' A' ' 62' ' ' GLU . 97.7 mt -44.5 -65.23 0.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -39.27 -54.7 1.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.7 tp -56.56 -41.02 76.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 72.7 m -67.43 -34.73 77.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.24 -27.83 67.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.4 mm -65.64 -63.3 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.408 HG12 HD11 ' A' ' 80' ' ' LEU . 67.1 mt -57.51 -42.72 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 49' ' ' ARG . 33.2 t-80 -62.4 -49.69 74.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 48' ' ' HIS . 10.4 ttt85 -34.73 -59.88 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 113' ' ' PHE . 24.0 m-85 -78.86 -52.47 8.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 25.1 mtt-85 -123.82 96.25 43.21 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.602 0.715 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 53.3 Cg_endo -69.76 -27.23 26.73 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -59.34 -56.86 16.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 24.0 mt -40.4 -62.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.8 tt -115.77 132.6 64.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -93.96 96.73 9.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -70.96 -44.52 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.71 -34.46 52.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.2 m -74.8 -46.44 36.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.797 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.647 HD13 ' OD1' ' A' ' 68' ' ' ASN . 88.6 mt -53.93 166.33 0.37 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -138.08 147.24 43.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.481 ' HA ' HD11 ' A' ' 41' ' ' LEU . 11.3 pt-20 -56.81 -43.3 80.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.459 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 14.4 pt20 -56.83 -28.47 61.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -80.98 115.44 20.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.9 t -106.85 -67.4 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -50.98 -37.1 42.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 68' ' ' ASN . 46.4 tttt -66.2 -69.17 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.647 ' OD1' HD13 ' A' ' 60' ' ' LEU . 11.3 m-80 -34.89 -44.15 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -74.48 -58.21 3.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -43.07 -44.8 5.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.73 -68.04 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -40.5 -57.41 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -45.56 -34.24 3.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -86.15 -61.72 1.68 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.6 mm -45.1 -51.75 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -45.78 -73.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.073 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -46.23 59.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -44.0 -56.49 3.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -100.4 -64.61 1.03 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 76' ' ' ALA . 19.7 mt -50.6 -58.29 6.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 113.87 0.22 24.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.773 HG23 ' CD ' ' A' ' 108' ' ' GLN . 66.2 mt -78.56 98.4 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.843 0.354 . . . . 0.0 111.115 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.3 p -59.12 132.28 87.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.721 0.772 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.37 53.82 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.707 2.271 . . . . 0.0 112.345 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.6 pt -90.67 -22.62 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 67.9 mtm -144.83 168.33 20.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 88' ' ' GLY . 2.4 p -102.25 141.67 34.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.08 -50.74 1.21 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -55.54 -44.57 76.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 87' ' ' THR . 4.8 mm-40 -64.86 -35.92 82.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.456 ' O ' HG12 ' A' ' 94' ' ' VAL . 9.6 tpp -66.02 -48.74 70.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.63 -31.93 70.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.6 m -74.11 -55.39 6.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 91' ' ' MET . 7.4 p -49.83 149.54 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -79.67 -40.62 14.59 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -160.9 132.33 3.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 110.872 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 176.02 7.37 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.695 2.264 . . . . 0.0 112.316 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -101.94 124.99 48.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -39.35 -67.5 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 54.5 mt -42.53 -64.75 0.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 m -44.32 -55.99 4.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.811 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 93.0 mmm -52.95 -63.91 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 72.7 t -46.74 -64.13 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.177 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 9.4 mtm -42.66 -54.62 3.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -57.68 -66.61 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.527 HD22 ' CH2' ' A' ' 37' ' ' TRP . 61.1 mt -40.52 -50.01 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 106' ' ' LEU . 92.2 m -34.03 -57.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.773 ' CD ' HG23 ' A' ' 82' ' ' ILE . 63.1 mt-30 -34.9 -47.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -65.47 -50.27 65.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' A' ' 111' ' ' GLU . 1.0 OUTLIER -58.92 -62.57 1.78 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.84 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.563 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 7.9 mm-40 -44.63 -22.42 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.6 ttp -91.2 -31.01 16.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.517 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 24.2 m-85 -115.88 31.36 6.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.952 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.923 0.392 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -37.8 -47.6 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.48 HD21 ' HB2' ' A' ' 106' ' ' LEU . 23.8 tp -61.87 -51.99 65.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.534 HD11 HE21 ' A' ' 19' ' ' GLN . 20.0 tp -43.75 -56.38 3.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -37.97 -60.27 1.31 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.458 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.546 ' CE2' ' HG3' ' A' ' 21' ' ' GLN . 6.0 t90 -46.2 -71.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.73 ' O ' HG23 ' A' ' 22' ' ' THR . 84.4 m -33.9 -46.55 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.534 HE21 HD11 ' A' ' 15' ' ' LEU . 22.8 mt-30 -64.53 -49.49 71.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' TRP . 35.0 mtt85 -60.55 -47.9 84.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.579 ' N ' ' CD ' ' A' ' 21' ' ' GLN . 1.2 mm100 -66.5 -58.58 4.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 18' ' ' CYS . 59.1 p -51.52 -45.39 62.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 22' ' ' THR . 6.9 t70 -35.18 120.54 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.48 -33.42 3.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -65.54 -175.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.388 . . . . 0.0 110.92 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.21 108.23 14.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.066 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.82 19.5 59.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.521 ' O ' HG12 ' A' ' 28' ' ' VAL . 60.9 t -114.45 64.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.865 0.364 . . . . 0.0 111.177 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -89.15 110.42 21.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 81.2 t -89.16 108.38 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.5 p -119.65 -22.63 6.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -135.34 170.51 15.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.435 HD21 ' CD1' ' A' ' 15' ' ' LEU . 78.4 mt -116.12 28.77 8.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.9 p -132.08 -59.34 0.94 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.47 ' O ' ' N ' ' A' ' 37' ' ' TRP . 8.3 mmt -87.04 -48.67 7.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.8 t -40.14 -25.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.47 ' N ' ' O ' ' A' ' 35' ' ' MET . 69.7 m95 -100.45 -33.77 10.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 35' ' ' MET . 3.2 mtpt -38.23 -35.74 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.401 ' HA ' HG13 ' A' ' 65' ' ' VAL . 16.4 p -65.11 -54.81 24.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.816 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.33 -40.71 2.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 42' ' ' ALA . 92.6 mt -39.3 -66.87 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -33.79 -67.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.059 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.5 tp -44.06 -39.78 4.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' LEU . 27.1 m -69.41 -39.18 78.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.44 -27.47 69.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.5 mm -66.21 -62.51 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.434 HG23 HD12 ' A' ' 54' ' ' LEU . 80.6 mt -54.37 -45.27 68.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 49' ' ' ARG . 43.1 t-80 -66.67 -47.18 73.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 48' ' ' HIS . 26.7 tpt85 -34.28 -48.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -98.68 -48.04 5.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.404 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 17.8 mtt85 -120.56 96.05 48.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.652 0.739 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 53.8 Cg_endo -69.79 -29.92 22.97 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.324 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' LEU . 8.3 t70 -56.27 -64.25 0.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.434 HD12 HG23 ' A' ' 47' ' ' ILE . 12.7 mt -37.07 -62.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.412 ' O ' HG23 ' A' ' 55' ' ' ILE . 5.9 tt -116.72 129.47 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -99.04 97.32 8.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.425 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 32.2 t80 -65.41 -38.22 89.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -45.15 -45.66 11.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -70.0 -53.56 17.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.791 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 75.4 mt -51.84 154.28 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -127.91 179.62 5.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -85.03 -24.58 28.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -72.94 -28.46 62.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.474 ' HB2' ' ND2' ' A' ' 68' ' ' ASN . 81.2 m-20 -79.25 115.43 18.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.401 HG13 ' HA ' ' A' ' 39' ' ' SER . 47.3 t -105.13 -64.3 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -56.57 -42.42 78.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -61.3 -62.33 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.474 ' ND2' ' HB2' ' A' ' 64' ' ' ASN . 4.6 m-80 -41.42 -30.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -85.46 -64.14 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -39.97 -40.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.7 tp -64.86 -67.81 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.15 -52.29 7.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -51.92 -30.65 25.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -87.89 -64.03 1.21 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 16.5 mm -45.09 -49.94 2.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -44.55 -73.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -53.69 -43.15 68.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -45.04 -52.65 8.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -106.38 -63.34 1.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 76' ' ' ALA . 33.5 mt -51.05 -51.87 48.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.89 -7.39 29.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.668 HG23 ' OE1' ' A' ' 108' ' ' GLN . 89.5 mt -73.62 103.6 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.337 . . . . 0.0 111.115 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.6 m -66.72 131.43 94.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.652 0.739 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 131.61 21.56 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.706 2.27 . . . . 0.0 112.33 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.4 pt -75.18 -22.49 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 7.2 ptp -146.21 167.16 24.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 90' ' ' GLU . 71.9 p -100.5 139.11 36.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.51 -38.09 0.25 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -64.26 -44.8 90.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.739 0.304 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 87' ' ' THR . 5.6 mm-40 -65.77 -21.0 66.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.7 tpp -85.31 -29.83 24.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.53 -38.11 35.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.8 t -74.27 -55.39 6.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.4 p -50.41 135.04 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.5 -41.43 99.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.455 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -160.87 138.3 6.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.623 0.725 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -171.9 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.718 2.278 . . . . 0.0 112.352 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.85 122.37 47.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.632 ' O ' HG23 ' A' ' 103' ' ' VAL . 2.4 tmmm? -40.69 -54.38 2.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.8 mt -54.37 -73.5 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.6 m -39.32 -52.13 2.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 87.9 mmm -53.77 -62.29 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 99' ' ' LYS . 91.2 t -50.32 -53.13 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 75.9 mtp -51.72 -62.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -46.92 -62.65 1.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.48 ' HB2' HD21 ' A' ' 14' ' ' LEU . 17.5 mt -45.57 -48.04 14.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.961 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 106' ' ' LEU . 19.1 m -34.86 -39.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.668 ' OE1' HG23 ' A' ' 82' ' ' ILE . 70.2 mt-30 -52.75 -51.81 59.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -61.64 -58.64 7.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.534 ' HA ' ' CZ3' ' A' ' 17' ' ' TRP . 3.2 t80 -45.32 -62.7 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.945 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -54.37 -19.23 5.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 9.9 tpp -78.32 -33.99 48.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -126.34 31.91 5.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 12.8 pttp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.969 0.414 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.05 -43.29 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.1 tp -58.72 -55.43 35.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.769 ' HB2' HD11 ' A' ' 33' ' ' LEU . 14.5 tp -39.56 -55.2 1.88 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.32 -60.82 3.92 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 37.7 t90 -37.53 -49.51 1.07 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.777 0.322 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.3 m -63.66 -43.55 96.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -58.26 -42.58 86.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -75.23 -44.33 46.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -63.82 -60.81 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 23' ' ' ASP . 79.8 p -53.92 -37.66 64.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 22' ' ' THR . 28.1 t70 -34.15 112.66 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.77 -35.13 1.81 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.453 ' HB3' ' CG2' ' A' ' 28' ' ' VAL . 44.7 m-85 -82.77 164.57 20.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.908 0.385 . . . . 0.0 110.885 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.7 122.39 33.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.13 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.406 ' O ' ' OD1' ' A' ' 29' ' ' ASN . . . 81.44 -34.36 2.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.523 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.473 ' O ' ' C ' ' A' ' 29' ' ' ASN . 91.6 t -48.81 -23.81 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.362 . . . . 0.0 111.153 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.473 ' C ' ' O ' ' A' ' 28' ' ' VAL . 8.2 p-10 -31.62 98.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.1 t -69.33 125.26 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 34.6 p -115.65 -39.38 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.18 -175.86 3.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 15' ' ' LEU . 29.4 mt -126.56 29.38 5.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -133.83 -56.9 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.3 mtp -92.03 -35.22 14.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.8 p -44.03 -33.55 1.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.459 ' O ' ' C ' ' A' ' 38' ' ' LYS . 50.2 m95 -94.45 -36.26 11.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 37' ' ' TRP . 5.3 mtpm? -33.52 -38.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.466 ' HA ' HG13 ' A' ' 65' ' ' VAL . 20.4 p -64.59 -60.52 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.41 -41.7 1.52 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.4 mt -40.18 -57.65 1.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.15 -67.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.445 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 48.6 tp -45.24 -42.31 9.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 60.4 m -64.36 -41.96 96.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.61 -29.29 70.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.6 mm -64.18 -50.36 77.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.667 HG12 HD11 ' A' ' 80' ' ' LEU . 67.3 mt -68.93 -39.74 80.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.577 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 7.3 t-80 -66.35 -53.86 31.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.818 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 48' ' ' HIS . 21.3 tpp180 -33.34 -51.5 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 113' ' ' PHE . 10.8 m-85 -86.79 -50.93 6.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -127.07 96.23 34.85 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.581 0.705 . . . . 0.0 110.851 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.577 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.72 -37.74 8.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.363 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.475 ' CG ' ' N ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -50.41 -50.88 50.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.475 ' N ' ' CG ' ' A' ' 53' ' ' ASP . 47.1 mt -48.44 -67.29 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.5 tt -112.4 134.46 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -100.6 106.93 18.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -71.83 -51.8 20.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.415 ' C ' ' OD1' ' A' ' 58' ' ' ASP . 20.1 t0 -47.01 -44.08 20.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 p -61.28 -43.84 98.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.819 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.458 HD13 ' OD1' ' A' ' 68' ' ' ASN . 93.8 mt -61.39 159.68 12.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -129.48 126.1 37.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 63' ' ' GLN . 12.1 pt-20 -40.43 -45.62 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 16.1 mm-40 -48.01 -44.66 31.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.481 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 15.9 m-20 -73.01 111.57 8.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.466 HG13 ' HA ' ' A' ' 39' ' ' SER . 71.2 t -93.94 -65.47 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -49.85 -54.53 18.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -44.71 -65.68 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 64' ' ' ASN . 6.4 m-80 -38.88 -42.36 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -72.53 -63.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -39.54 -46.23 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.9 tp -58.57 -69.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.78 -58.58 2.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.414 ' CD1' ' HB3' ' A' ' 84' ' ' PRO . 11.6 m-85 -43.23 -34.63 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.4 ' OD2' ' HD2' ' A' ' 78' ' ' LYS . 6.8 t70 -84.61 -61.16 1.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 51.0 mm -46.65 -53.53 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.437 ' CB ' HD12 ' A' ' 80' ' ' LEU . . . -47.72 -67.41 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.413 ' HA ' ' N ' ' A' ' 82' ' ' ILE . 52.6 tt0 -53.21 -38.47 62.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.4 ' HD2' ' OD2' ' A' ' 74' ' ' ASP . 13.8 mtpp -55.35 -55.67 28.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -99.39 -69.14 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.667 HD11 HG12 ' A' ' 47' ' ' ILE . 32.2 mt -45.24 -40.74 7.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.27 26.34 28.53 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.508 HG23 ' OE1' ' A' ' 108' ' ' GLN . 87.2 mt -105.96 99.82 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 111.085 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.9 t -55.22 132.96 69.27 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.697 0.761 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.414 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 53.6 Cg_endo -69.79 143.46 50.79 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.657 2.238 . . . . 0.0 112.357 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.487 HG13 ' N ' ' A' ' 86' ' ' MET . 37.9 pt -84.67 -37.66 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.487 ' N ' HG13 ' A' ' 85' ' ' ILE . 71.1 mtm -135.68 166.17 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 32.4 p -95.44 148.02 22.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -43.2 -48.34 6.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.437 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -60.5 -47.05 87.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.744 0.307 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.472 ' O ' HG12 ' A' ' 94' ' ' VAL . 15.7 mt-10 -62.5 -38.06 88.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.405 ' O ' HG12 ' A' ' 94' ' ' VAL . 1.1 tpt -62.57 -42.94 99.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.17 -36.56 54.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.7 t -67.66 -47.24 70.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.472 HG12 ' O ' ' A' ' 90' ' ' GLU . 13.6 p -57.52 141.22 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -72.16 -42.93 49.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -159.01 129.63 3.62 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.608 0.718 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -176.36 1.48 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.646 2.231 . . . . 0.0 112.33 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 99' ' ' LYS . 10.6 t0 -104.96 120.42 41.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 98' ' ' ASP . 4.0 tmtm? -37.94 -53.04 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.7 mt -56.1 -65.74 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.1 m -43.89 -51.37 7.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 89.6 mmm -55.24 -58.38 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.401 ' CG2' ' HD3' ' A' ' 99' ' ' LYS . 72.8 t -54.68 -61.4 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 38.1 mtt -43.97 -51.25 7.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.429 ' CD1' HG23 ' A' ' 85' ' ' ILE . 80.5 t80 -57.53 -66.39 0.47 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 107' ' ' THR . 26.6 mt -44.98 -51.17 10.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.956 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 106' ' ' LEU . 98.5 m -31.35 -44.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.508 ' OE1' HG23 ' A' ' 82' ' ' ILE . 51.7 mt-30 -49.29 -56.16 10.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.445 ' CZ ' HD11 ' A' ' 43' ' ' LEU . 91.1 m-85 -54.28 -56.82 14.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.403 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 2.0 t80 -51.51 -61.2 2.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.403 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 18.3 mt-10 -51.42 -29.14 14.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 24.7 ttm -75.67 -46.36 31.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.56 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 32.9 m-85 -107.78 37.17 2.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 47.1 pttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.917 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 13' ' ' LYS . 2.4 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.937 0.398 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 12' ' ' SER . 41.7 mmtt -34.34 -39.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.4 tp -66.53 -57.01 8.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.948 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.421 HD11 HE21 ' A' ' 19' ' ' GLN . 50.5 tp -44.1 -63.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -36.05 -59.62 0.92 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 52.5 t90 -46.0 -57.58 4.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.745 0.307 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.8 m -56.92 -39.85 75.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.421 HE21 HD11 ' A' ' 15' ' ' LEU . 26.3 mt-30 -58.24 -42.34 86.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -76.54 -45.23 31.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -62.88 -60.47 3.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.409 ' CG2' HD11 ' A' ' 46' ' ' ILE . 58.0 p -53.5 -36.84 62.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -41.09 133.56 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.807 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.22 -36.83 3.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.53 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.542 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 14.7 m-85 -59.1 -175.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.912 0.386 . . . . 0.0 110.928 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -109.35 122.47 47.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.95 34.82 80.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.752 ' O ' HG12 ' A' ' 28' ' ' VAL . 53.4 t -120.81 67.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 111.169 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -91.55 96.96 10.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.3 t -79.65 96.39 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.176 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.0 t -104.84 -29.84 10.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -115.27 -174.97 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.2 mt -128.88 16.67 6.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.422 HG22 ' HG2' ' A' ' 97' ' ' PRO . 0.7 OUTLIER -130.88 -58.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.2 ptp -87.42 -27.44 22.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.4 t -56.68 -30.99 64.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.474 ' O ' ' N ' ' A' ' 40' ' ' GLY . 61.2 m95 -95.55 -29.19 14.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 37' ' ' TRP . 15.3 mtpt -36.53 -41.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.08 -44.55 91.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 37' ' ' TRP . . . 111.11 -43.66 1.67 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.505 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.736 HD21 ' HA ' ' A' ' 62' ' ' GLU . 79.8 mt -38.1 -66.13 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.808 0.337 . . . . 0.0 110.895 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -37.12 -61.76 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.6 tp -48.51 -42.1 32.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 65.7 m -68.43 -37.0 79.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.542 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -66.05 -29.34 69.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.409 HD11 ' CG2' ' A' ' 22' ' ' THR . 49.2 mm -66.11 -62.27 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.811 HG12 HD11 ' A' ' 80' ' ' LEU . 53.3 mt -56.4 -47.31 81.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 29.4 t-80 -61.5 -47.21 86.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 48' ' ' HIS . 17.9 tpt180 -34.41 -55.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -89.34 -49.54 6.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.505 ' HB2' HD12 ' A' ' 54' ' ' LEU . 9.8 mmm180 -120.98 95.99 48.73 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.567 0.699 . . . . 0.0 110.858 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.558 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.83 -37.99 8.26 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -51.19 -59.36 4.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.77 HD22 ' HG3' ' A' ' 79' ' ' GLU . 44.3 mt -38.82 -65.15 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.447 HG23 ' O ' ' A' ' 55' ' ' ILE . 6.5 tt -114.25 128.52 71.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -94.97 105.65 17.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.476 ' HA ' HD12 ' A' ' 60' ' ' LEU . 24.7 t80 -75.86 -42.8 48.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -48.11 -47.28 34.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.6 t -65.56 -47.01 77.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.476 HD12 ' HA ' ' A' ' 57' ' ' PHE . 55.9 mt -54.32 148.06 12.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.472 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 9.6 m-20 -118.76 131.05 56.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.736 ' HA ' HD21 ' A' ' 41' ' ' LEU . 1.1 pm0 -44.58 -40.72 5.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.44 ' N ' ' HG2' ' A' ' 62' ' ' GLU . 5.5 mm-40 -55.47 -46.43 76.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.472 ' ND2' ' HB2' ' A' ' 61' ' ' ASP . 21.6 m-20 -66.45 116.21 7.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 77.6 t -102.04 -62.14 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -52.97 -41.61 64.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -60.07 -65.74 0.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 64' ' ' ASN . 9.0 m-80 -38.73 -40.05 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -74.43 -64.0 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -41.33 -42.55 2.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 48.3 tp -64.8 -67.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.951 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.71 -55.96 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -46.01 -39.67 9.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -79.27 -64.41 1.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.825 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.9 mm -43.82 -54.35 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -42.56 -67.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.05 -38.61 73.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt -54.27 -50.11 68.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.77 ' HG3' HD22 ' A' ' 54' ' ' LEU . 5.3 mm-40 -104.42 -65.01 1.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.811 HD11 HG12 ' A' ' 47' ' ' ILE . 28.2 mt -51.54 -42.6 61.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 103.24 -18.88 47.59 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.597 HG23 ' CD ' ' A' ' 108' ' ' GLN . 71.2 mt -63.33 103.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.9 t -64.41 131.37 95.04 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.632 0.73 . . . . 0.0 110.841 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 127.08 14.11 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.258 . . . . 0.0 112.327 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.491 HG23 ' CD1' ' A' ' 105' ' ' TYR . 42.5 pt -63.0 -33.1 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.423 ' N ' HG13 ' A' ' 85' ' ' ILE . 5.6 ptp -146.54 170.14 17.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 49.8 p -92.62 145.21 24.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -38.55 -44.05 1.69 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.455 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.405 ' HD2' ' C ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -56.57 -51.95 66.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.704 0.288 . . . . 0.0 110.874 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.503 ' O ' HG12 ' A' ' 94' ' ' VAL . 8.6 mm-40 -58.13 -37.04 73.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.3 tpt -67.58 -34.85 77.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.23 -39.98 38.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.7 p -68.83 -53.68 20.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 90' ' ' GLU . 12.9 p -50.73 134.65 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.05 -35.95 91.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.44 ' H ' HG22 ' A' ' 94' ' ' VAL . 31.7 tt0 -167.33 132.53 1.64 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 110.921 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.422 ' HG2' HG22 ' A' ' 34' ' ' THR . 54.2 Cg_endo -69.77 178.51 4.5 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.36 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 99' ' ' LYS . 22.5 t70 -101.28 117.33 34.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.803 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.487 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.1 OUTLIER -34.26 -52.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.5 mt -52.05 -64.27 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.1 p -47.22 -54.77 9.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 85.1 mmm -51.89 -55.76 18.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 99' ' ' LYS . 84.2 t -56.52 -63.22 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 21.7 mtm -44.9 -52.65 8.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.491 ' CD1' HG23 ' A' ' 85' ' ' ILE . 82.2 t80 -59.57 -62.96 1.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 49.6 mt -44.03 -45.39 7.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 92.3 m -39.16 -48.29 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.597 ' CD ' HG23 ' A' ' 82' ' ' ILE . 52.9 mt-30 -44.96 -43.42 9.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -67.71 -50.52 57.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.408 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 2.0 t80 -55.46 -61.81 2.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.408 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 11.4 mm-40 -49.11 -28.25 4.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.3 ttm -68.18 -48.59 64.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -114.97 36.12 4.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 13' ' ' LYS . 7.9 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.944 0.402 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 12' ' ' SER . 14.6 mtpt -37.07 -50.7 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.555 HD21 ' HB2' ' A' ' 106' ' ' LEU . 12.8 tp -62.51 -51.61 66.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 16' ' ' GLY . 47.6 tp -42.0 -62.69 0.87 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -34.7 -56.37 0.79 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.506 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 52.3 t90 -46.24 -55.09 7.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.754 0.312 . . . . 0.0 110.957 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.7 m -58.74 -47.58 84.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -57.84 -21.08 40.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -93.1 -45.17 8.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -71.23 -54.34 11.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.1 p -60.93 -12.61 11.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -59.17 122.65 14.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.93 -37.35 2.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -65.03 167.83 7.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.932 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -110.14 133.22 53.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.084 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.23 -31.79 4.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.513 HG12 HG23 ' A' ' 30' ' ' VAL . 49.6 t -60.21 -69.24 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.819 0.343 . . . . 0.0 111.118 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 28' ' ' VAL . 6.2 p-10 35.82 52.03 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.513 HG23 HG12 ' A' ' 28' ' ' VAL . 24.2 t -40.39 114.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.8 t -123.92 5.43 8.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -162.62 179.05 8.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.701 HD13 HG22 ' A' ' 103' ' ' VAL . 87.8 mt -118.09 22.55 12.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.9 p -128.25 -74.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.3 mtp -74.05 -42.59 60.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 m -44.35 -29.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.47 ' CH2' HD22 ' A' ' 106' ' ' LEU . 61.0 m95 -98.95 -33.81 10.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 37' ' ' TRP . 5.0 mtpm? -35.3 -53.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.534 ' HA ' HG13 ' A' ' 65' ' ' VAL . 17.1 t -49.12 -47.69 45.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' TRP . . . 114.52 -37.14 3.65 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.487 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.483 HD11 ' HA ' ' A' ' 62' ' ' GLU . 85.3 mt -45.25 -45.37 11.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.12 -65.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.5 tp -50.97 -47.71 61.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.3 m -57.75 -38.89 76.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.36 -17.63 64.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.8 mm -80.14 -40.33 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.456 HG12 HD11 ' A' ' 80' ' ' LEU . 66.2 mt -74.53 -40.83 48.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -71.57 -45.31 62.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -38.1 -46.68 1.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -93.97 -50.95 5.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 mtt85 -123.05 94.96 46.64 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.579 0.704 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 55' ' ' ILE . 53.1 Cg_endo -69.75 -18.45 37.07 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.312 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.487 ' CG ' ' N ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -68.95 -51.59 38.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.487 ' N ' ' CG ' ' A' ' 53' ' ' ASP . 12.8 mt -48.02 -60.99 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.4 ' O ' ' O ' ' A' ' 52' ' ' PRO . 5.1 tt -115.91 151.35 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -117.0 107.03 14.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -74.63 -48.93 23.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -44.42 -39.91 5.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.6 t -73.08 -46.29 52.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.437 HD13 ' OD1' ' A' ' 68' ' ' ASN . 71.9 mt -56.15 163.1 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -133.83 156.05 48.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.483 ' HA ' HD11 ' A' ' 41' ' ' LEU . 5.7 pt-20 -66.95 -43.71 82.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -52.55 -44.62 65.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -68.38 115.21 7.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.534 HG13 ' HA ' ' A' ' 39' ' ' SER . 26.1 t -104.75 -64.92 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 89' ' ' LYS . 22.9 tt0 -53.06 -45.06 67.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -56.15 -66.09 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.437 ' OD1' HD13 ' A' ' 60' ' ' LEU . 12.2 m-80 -38.36 -45.17 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -68.22 -62.02 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -40.95 -40.04 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.3 tp -65.59 -65.27 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.52 -51.81 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -52.31 -28.59 19.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -87.97 -58.55 2.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.8 mm -53.01 -51.51 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -47.78 -68.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -55.99 -33.78 65.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -59.42 -48.46 81.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -106.95 -63.72 1.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 76' ' ' ALA . 30.2 mt -52.72 -35.7 56.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.19 -8.06 80.69 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.542 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 94.8 mt -68.1 109.05 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.342 . . . . 0.0 111.143 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t -63.97 132.71 95.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.65 0.738 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 152.03 69.2 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.458 HG23 ' CD1' ' A' ' 105' ' ' TYR . 30.8 pt -95.7 -21.89 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.0 ptp -162.46 160.82 26.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 90' ' ' GLU . 29.6 p -87.01 143.26 27.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.51 -44.33 0.86 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 15.3 tttt -62.53 -45.26 93.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.74 0.305 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.544 ' O ' HG12 ' A' ' 94' ' ' VAL . 9.1 mm-40 -65.79 -17.05 64.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.4 tpp -91.14 -29.01 17.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.98 -5.22 51.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.2 m -108.03 -38.7 5.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.801 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 90' ' ' GLU . 2.4 p -52.88 -15.43 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.71 -38.89 2.34 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -166.27 130.92 1.74 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.669 0.747 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.424 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 53.5 Cg_endo -69.79 -172.09 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.731 2.287 . . . . 0.0 112.331 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -118.23 125.84 50.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.64 ' O ' HG23 ' A' ' 103' ' ' VAL . 39.1 tptt -40.93 -51.49 3.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.5 mt -54.95 -72.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 t -41.83 -51.93 4.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.424 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 89.0 mmm -53.83 -65.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.701 HG22 HD13 ' A' ' 33' ' ' LEU . 85.7 t -47.59 -61.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 9.3 mtt -49.25 -69.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.458 ' CD1' HG23 ' A' ' 85' ' ' ILE . 62.7 t80 -39.54 -50.88 2.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.555 ' HB2' HD21 ' A' ' 14' ' ' LEU . 58.9 mt -57.7 -49.28 77.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 106' ' ' LEU . 93.3 m -36.71 -35.31 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -56.87 -49.11 76.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -64.69 -43.53 93.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.449 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 3.1 t80 -60.87 -67.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.449 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 36.2 mt-10 -44.5 -30.74 0.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 29.0 tpp -73.97 -37.48 64.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 110' ' ' TYR . 28.0 m-85 -109.72 23.12 14.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.0 pttp . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.951 0.405 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.33 -45.35 17.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.633 HD21 ' HB2' ' A' ' 106' ' ' LEU . 41.1 tp -64.49 -54.17 36.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.8 tp -41.69 -56.03 2.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.52 -52.56 6.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.476 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 50.6 t90 -51.35 -52.9 41.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.727 0.299 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.759 ' O ' HG23 ' A' ' 22' ' ' THR . 63.6 m -59.42 -43.51 93.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -59.97 -48.51 81.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 20' ' ' ARG . 5.8 mmm180 -65.9 -50.74 63.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -61.73 -61.57 2.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.759 HG23 ' O ' ' A' ' 18' ' ' CYS . 45.2 p -49.28 -43.28 43.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -40.23 110.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.04 -27.51 2.78 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -72.53 -179.88 3.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.905 0.383 . . . . 0.0 110.913 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -103.24 133.99 47.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 51.73 30.46 28.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.565 ' O ' HG12 ' A' ' 28' ' ' VAL . 79.1 t -120.87 76.55 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 111.109 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -102.15 99.78 9.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.1 t -83.06 92.62 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 t -104.84 12.22 32.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -166.99 -175.03 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.418 HD13 HG22 ' A' ' 103' ' ' VAL . 26.6 mt -125.89 31.09 5.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.2 p -133.74 -74.46 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.2 ptm -81.5 -22.04 38.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.3 m -59.92 -24.92 64.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.427 ' O ' ' C ' ' A' ' 38' ' ' LYS . 36.6 m95 -106.94 -28.24 10.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 37' ' ' TRP . 7.7 mtpm? -36.47 -47.69 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.9 t -49.43 -53.76 21.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.51 -29.7 6.02 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 42' ' ' ALA . 89.1 mt -55.06 -63.7 1.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.797 0.332 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -36.54 -62.53 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.6 tp -46.96 -42.46 17.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 71.4 m -70.98 -30.47 66.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.75 -22.14 63.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.8 mm -74.0 -62.33 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.587 HG12 HD11 ' A' ' 80' ' ' LEU . 81.5 mt -54.64 -42.16 59.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 45.2 t-80 -68.35 -47.42 67.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' HIS . 19.1 tpt85 -37.0 -50.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -88.69 -52.83 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -121.27 95.74 48.39 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.648 0.737 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.578 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.79 -11.94 31.82 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -73.18 -55.57 6.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.618 ' CD1' HD21 ' A' ' 80' ' ' LEU . 14.3 mt -44.21 -58.73 2.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.6 tt -122.0 142.75 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -109.36 105.96 15.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -74.33 -44.9 50.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -48.27 -39.31 21.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.4 t -74.4 -43.96 54.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.9 mt -57.38 158.93 5.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.426 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 1.8 m-20 -127.59 150.92 49.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -67.11 -38.49 85.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -55.71 -26.19 43.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.426 ' ND2' ' HB2' ' A' ' 61' ' ' ASP . 31.5 m-20 -89.98 115.24 27.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 96.5 t -102.21 -67.46 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -48.31 -35.67 12.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 68' ' ' ASN . 38.4 tptt -65.7 -71.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 67' ' ' LYS . 8.7 m-80 -35.42 -38.09 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -75.18 -62.19 1.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.415 ' C ' ' CD ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -45.11 -49.54 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.6 tp -52.27 -67.22 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.66 -54.8 3.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -47.91 -33.17 7.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -86.42 -59.93 2.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 30.4 mm -47.66 -52.77 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -43.17 -72.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -53.19 -45.45 68.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -44.55 -57.57 3.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -98.91 -63.76 1.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.618 HD21 ' CD1' ' A' ' 54' ' ' LEU . 19.6 mt -52.47 -53.51 44.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 109.68 -9.31 32.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.689 HG23 ' OE1' ' A' ' 108' ' ' GLN . 97.4 mt -70.35 110.94 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 111.197 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t -66.96 131.92 93.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.654 0.74 . . . . 0.0 110.837 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 157.04 61.64 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.619 HD12 ' OG ' ' A' ' 101' ' ' SER . 18.0 pt -99.08 -32.92 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.072 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.458 ' SD ' ' CG1' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -134.22 173.72 11.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 90' ' ' GLU . 1.3 p -112.54 145.13 40.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -35.89 -45.15 0.79 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.497 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.4 tptp -63.07 -43.39 98.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.713 0.292 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 87' ' ' THR . 28.6 mm-40 -69.36 -16.14 63.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.5 ttt -92.28 -26.13 18.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -86.81 -27.23 23.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.059 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.3 m -86.39 -51.22 6.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.4 p -52.08 136.24 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.52 -40.49 90.96 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.417 ' CG ' ' HD2' ' A' ' 97' ' ' PRO . 25.4 tt0 -159.8 137.65 7.28 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.619 0.723 . . . . 0.0 110.894 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.492 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 53.7 Cg_endo -69.73 169.23 19.36 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -93.87 121.19 35.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -39.29 -52.6 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 82.5 mt -53.72 -73.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.619 ' OG ' HD12 ' A' ' 85' ' ' ILE . 1.2 t -39.29 -51.91 2.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.492 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 88.5 mmm -53.77 -64.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.418 HG22 HD13 ' A' ' 33' ' ' LEU . 77.2 t -52.3 -61.78 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 40.1 mtp -47.61 -44.51 26.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.514 ' CD1' HG23 ' A' ' 85' ' ' ILE . 34.6 t80 -64.67 -66.67 0.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.633 ' HB2' HD21 ' A' ' 14' ' ' LEU . 49.1 mt -43.01 -43.72 4.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 98.7 m -40.59 -41.84 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.689 ' OE1' HG23 ' A' ' 82' ' ' ILE . 62.2 mt-30 -50.84 -43.18 59.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -69.36 -46.59 66.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.489 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 2.1 t80 -58.21 -65.61 0.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.489 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 16.3 mm-40 -43.09 -34.62 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 60.2 ttm -75.08 -43.25 54.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.476 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 22.8 m-85 -105.06 34.73 3.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.1 pttp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.934 0.397 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -45.93 -43.17 13.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.512 HD21 ' HB2' ' A' ' 106' ' ' LEU . 55.8 tp -67.3 -55.2 14.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.503 ' HB2' HD21 ' A' ' 33' ' ' LEU . 41.1 tp -40.79 -50.66 3.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.58 -50.07 14.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.457 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.481 ' CZ2' ' HG3' ' A' ' 21' ' ' GLN . 62.6 t90 -55.15 -43.42 74.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.745 0.307 . . . . 0.0 110.929 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.42 ' O ' HG23 ' A' ' 22' ' ' THR . 66.1 m -64.33 -39.91 94.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -66.09 -29.75 70.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -85.25 -40.63 16.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.481 ' HG3' ' CZ2' ' A' ' 17' ' ' TRP . 34.6 mm-40 -72.46 -50.04 29.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 18' ' ' CYS . 27.4 p -72.73 2.98 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -69.7 122.48 19.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.13 -37.66 2.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.442 ' OH ' ' N ' ' A' ' 49' ' ' ARG . 32.9 m-85 -60.49 175.94 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.378 . . . . 0.0 110.931 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.82 130.29 55.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.64 -32.51 4.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 29' ' ' ASN . 98.9 t -61.86 -69.1 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 111.15 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 28' ' ' VAL . 44.2 t30 34.83 52.66 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.439 HG23 HG12 ' A' ' 28' ' ' VAL . 42.9 t -38.85 126.78 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.5 -38.02 1.36 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -105.24 -175.83 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.503 HD21 ' HB2' ' A' ' 15' ' ' LEU . 65.7 mt -124.35 4.97 8.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.5 p -119.24 -75.31 0.58 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.532 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 73.4 mtp -71.2 -28.43 64.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.0 t -47.37 -24.06 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.76 ' CH2' HD22 ' A' ' 106' ' ' LEU . 4.8 m95 -112.69 -13.06 13.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.532 ' CG ' ' HA ' ' A' ' 35' ' ' MET . 7.6 mmmt -47.37 -31.84 4.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.7 p -78.99 -32.08 45.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.65 -36.24 4.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.527 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.7 mt -41.67 -49.22 4.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 110.949 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.77 -64.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 43' ' ' LEU . 7.3 tp -50.06 -40.87 46.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 68' ' ' ASN . 88.0 m -68.51 -35.99 78.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.25 -31.39 70.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.064 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.09 -58.5 7.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.527 HG12 HD11 ' A' ' 80' ' ' LEU . 39.2 mt -57.4 -44.57 84.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.439 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 11.6 t-80 -62.29 -51.25 68.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.444 ' HD3' ' C ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -36.37 -62.44 0.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -75.95 -46.97 27.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -128.45 94.7 34.85 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.439 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.81 -24.62 29.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.326 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -45.42 88.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 29.6 mt -52.51 -59.01 4.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.9 tt -125.44 140.76 47.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -102.6 123.04 45.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -88.6 -38.22 15.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.51 -31.99 69.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 m -77.2 -42.73 36.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.531 HD13 ' OD1' ' A' ' 68' ' ' ASN . 73.4 mt -57.79 175.48 0.19 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -154.04 133.89 13.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -45.87 -40.2 9.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -49.17 -47.83 45.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.403 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 1.0 OUTLIER -76.32 110.82 11.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 70.5 t -101.11 -51.91 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -63.38 -27.07 69.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 68' ' ' ASN . 41.2 tttt -74.53 -68.49 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.531 ' OD1' HD13 ' A' ' 60' ' ' LEU . 5.8 m-80 -34.81 -41.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -74.29 -63.54 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -41.34 -42.56 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.3 tp -61.71 -66.5 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.14 -56.29 4.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -43.96 -27.16 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -93.98 -58.42 2.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.9 mm -49.57 -49.99 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -47.46 -74.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.074 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.56 -44.84 62.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -44.33 -56.33 4.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -101.49 -63.2 1.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.527 HD11 HG12 ' A' ' 47' ' ' ILE . 29.2 mt -51.44 -51.88 51.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 109.46 -3.2 30.95 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.558 HD13 ' CD1' ' A' ' 109' ' ' PHE . 70.6 mt -74.21 104.92 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 111.157 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t -63.1 130.26 94.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.61 0.719 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 137.81 36.49 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.718 2.278 . . . . 0.0 112.355 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.8 pt -80.22 -26.99 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.153 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.6 ptp -152.81 171.98 17.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.0 p -97.73 145.32 26.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -38.26 -44.36 1.6 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -59.88 4.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.741 0.305 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -52.95 -21.23 4.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.3 tpt -83.7 -28.06 28.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.35 -35.11 23.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.123 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.4 p -71.93 -38.15 69.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.468 HG22 ' H ' ' A' ' 96' ' ' GLU . 9.6 p -67.52 153.37 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.26 -28.11 37.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.486 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.468 ' H ' HG22 ' A' ' 94' ' ' VAL . 15.1 tt0 -175.19 137.17 0.55 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 0.0 110.87 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 165.6 30.38 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.342 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -87.62 130.43 34.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -44.33 -62.65 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 85.1 mt -45.03 -67.04 0.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.6 p -43.26 -54.66 4.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 93.4 mmm -53.62 -64.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 76.6 t -43.7 -55.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.154 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 56.8 mtp -55.12 -69.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -41.87 -57.27 2.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.76 HD22 ' CH2' ' A' ' 37' ' ' TRP . 39.6 mt -52.63 -54.76 28.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 106' ' ' LEU . 96.7 m -33.9 -43.89 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.479 ' NE2' HG23 ' A' ' 82' ' ' ILE . 39.1 mt-30 -47.53 -49.28 26.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.558 ' CD1' HD13 ' A' ' 82' ' ' ILE . 65.8 m-85 -62.07 -36.35 81.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 114' ' ' LYS . 1.2 t80 -68.31 -56.07 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.415 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 45.6 mt-10 -58.59 -18.18 27.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 5.7 tpp -88.27 -24.09 23.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.426 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 25.0 m-85 -124.09 18.45 9.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 110' ' ' TYR . 14.1 ptmt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 13' ' ' LYS . 34.4 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.961 0.41 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 12' ' ' SER . 7.8 mtmp? -36.78 -42.74 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.515 HD21 ' HB2' ' A' ' 106' ' ' LEU . 20.0 tp -63.91 -58.26 7.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' GLY . 25.4 tp -37.59 -62.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -37.85 -63.32 0.89 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 71.7 t90 -40.78 -48.2 2.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.748 0.308 . . . . 0.0 110.908 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.693 ' O ' HG23 ' A' ' 22' ' ' THR . 38.1 m -63.68 -39.5 94.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -64.28 -49.12 73.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.8 mmt-85 -68.25 -45.29 73.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -63.42 -51.79 64.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 18' ' ' CYS . 44.4 p -67.09 -4.46 10.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.106 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -67.54 122.06 17.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.57 -23.31 6.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.494 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -73.14 171.2 13.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 0.0 110.915 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.11 118.01 35.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.116 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.26 19.21 79.77 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.699 ' O ' HG12 ' A' ' 28' ' ' VAL . 95.1 t -115.9 60.93 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.888 0.375 . . . . 0.0 111.147 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.418 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 2.4 t30 -89.34 79.86 6.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.0 112.4 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.0 t -126.66 -6.7 6.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.174 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -127.69 177.23 6.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.2 mt -120.61 11.26 11.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.6 p -132.46 -70.89 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 38' ' ' LYS . 26.4 mtm -66.48 -44.45 82.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 t -45.67 -22.33 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 53.0 m95 -105.23 -20.73 13.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.948 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 35' ' ' MET . 8.4 mtpm? -52.84 -42.56 65.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.4 p -59.42 -34.4 72.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.77 -43.22 1.72 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.513 HD23 ' OD1' ' A' ' 68' ' ' ASN . 91.3 mt -39.18 -68.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.814 0.34 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -34.14 -67.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.8 tp -43.97 -43.27 6.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.3 m -65.54 -37.71 87.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.38 -17.56 64.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.1 mm -79.24 -49.4 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.445 HG12 HD11 ' A' ' 80' ' ' LEU . 33.3 mt -67.84 -44.41 85.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.553 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 16.0 t-80 -63.5 -46.46 85.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' HIS . 21.7 tpt180 -35.64 -54.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' A' ' 113' ' ' PHE . 10.8 m-85 -86.51 -51.39 6.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.416 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 41.7 mtt85 -123.39 97.66 42.25 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.572 0.701 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.553 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.77 -14.33 35.9 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.644 2.229 . . . . 0.0 112.329 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -73.02 -59.56 2.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.6 mt -38.28 -53.29 1.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.9 tt -123.66 135.38 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -101.84 93.42 5.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -64.55 -54.12 37.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -43.17 -33.2 0.86 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 m -78.39 -47.21 18.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.7 mt -53.01 152.77 3.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -126.49 129.37 48.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -42.26 -37.76 1.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -61.7 -42.94 99.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -72.2 70.25 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 57.8 t -54.53 -75.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.403 ' HG3' ' HB2' ' A' ' 92' ' ' ALA . 2.8 mp0 -39.62 -58.08 1.37 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -40.85 -63.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.513 ' OD1' HD23 ' A' ' 41' ' ' LEU . 3.6 m-80 -42.24 -29.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 70' ' ' GLN . 69.4 m-80 -90.25 -66.54 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 69' ' ' ASN . 49.5 tp60 -37.88 -39.08 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.0 tp -65.45 -67.14 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.96 -48.57 32.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -51.75 -27.36 11.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -93.31 -60.02 1.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.7 mm -48.65 -49.07 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.192 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -50.74 -68.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -53.56 -38.22 63.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -55.79 -47.31 77.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -108.0 -67.54 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 76' ' ' ALA . 56.6 mt -47.7 -39.16 16.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 91.87 7.5 64.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.578 HG23 ' CD ' ' A' ' 108' ' ' GLN . 76.5 mt -87.03 103.87 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.907 0.385 . . . . 0.0 111.153 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t -59.88 133.18 89.55 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.652 0.739 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 138.01 36.82 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.315 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.404 HG23 ' CD1' ' A' ' 105' ' ' TYR . 35.9 pt -80.51 -29.19 11.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.8 ptp -153.73 166.5 32.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 31.1 p -89.81 154.84 19.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -47.61 -48.11 23.06 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.44 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.64 -58.58 7.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.722 0.296 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -50.37 -36.29 31.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 19.5 tpp -66.26 -36.14 82.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.403 ' HB2' ' HG3' ' A' ' 66' ' ' GLU . . . -76.72 -38.67 53.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.0 m -68.01 -52.88 30.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.532 HG22 ' H ' ' A' ' 96' ' ' GLU . 9.3 p -52.97 142.05 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.124 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -77.7 -24.27 65.29 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.514 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.532 ' H ' HG22 ' A' ' 94' ' ' VAL . 49.2 tt0 -169.03 126.9 0.86 Allowed Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.622 0.725 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.433 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 53.7 Cg_endo -69.75 144.21 53.35 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.688 2.258 . . . . 0.0 112.339 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 99' ' ' LYS . 10.9 t70 -58.3 109.39 0.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.815 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -34.42 -67.74 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 67.5 mt -40.55 -55.65 2.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.9 m -55.77 -41.32 73.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.486 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -62.55 -62.05 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.1 t -53.3 -51.21 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.5 mtt -56.55 -68.47 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.404 ' CD1' HG23 ' A' ' 85' ' ' ILE . 64.9 t80 -41.74 -48.18 4.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.515 ' HB2' HD21 ' A' ' 14' ' ' LEU . 81.6 mt -59.49 -51.0 71.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 106' ' ' LEU . 95.6 m -35.46 -50.58 0.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.578 ' CD ' HG23 ' A' ' 82' ' ' ILE . 47.4 mt-30 -41.17 -46.8 3.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -63.99 -61.49 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.439 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 1.1 t80 -46.08 -58.47 3.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.945 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.439 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 75.5 mt-10 -51.27 -23.41 3.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 1.4 tpt -78.23 -41.58 33.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.548 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 19.4 m-85 -115.61 35.95 4.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 13.6 pttm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 3' ' ' SER . 48.0 t -80.7 152.46 28.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.357 . . . . 0.0 110.853 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 2' ' ' SER . 20.4 m -35.73 128.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.893 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.57 -41.52 1.7 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.525 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -46.99 130.47 12.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 110.914 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 p -77.06 170.21 16.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.3 126.93 1.68 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.421 HG22 ' H ' ' A' ' 10' ' ' ARG . 7.2 p -147.19 135.43 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.0 111.134 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.74 -47.41 41.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.036 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.421 ' H ' HG22 ' A' ' 8' ' ' VAL . 3.1 tmm_? -40.89 137.44 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.607 ' HA ' HD23 ' A' ' 15' ' ' LEU . 2.4 m 63.17 53.32 2.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.2 m -53.75 148.6 9.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -49.25 -50.62 37.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.61 HD21 ' HB2' ' A' ' 106' ' ' LEU . 45.7 tp -57.34 -51.54 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.607 HD23 ' HA ' ' A' ' 11' ' ' SER . 33.3 tp -45.85 -61.34 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -37.5 -58.9 1.34 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.507 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 67.1 t90 -44.81 -54.74 6.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.727 0.298 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.498 ' O ' HG23 ' A' ' 22' ' ' THR . 61.7 m -59.43 -37.41 78.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -63.09 -29.47 70.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.444 ' NH1' ' HB3' ' A' ' 20' ' ' ARG . 14.3 mtp-105 -88.8 -40.58 13.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -70.48 -53.79 14.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 18' ' ' CYS . 36.6 p -60.74 -20.91 62.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -50.37 129.1 21.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.93 -38.28 2.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.491 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.44 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 32.6 m-85 -61.09 -179.64 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.875 0.369 . . . . 0.0 110.912 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -120.66 127.69 52.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.87 -33.24 4.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.494 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.485 HG12 HG23 ' A' ' 30' ' ' VAL . 96.5 t -49.88 -68.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 111.094 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.708 ' O ' HG23 ' A' ' 31' ' ' THR . 9.0 t30 34.9 53.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.485 HG23 HG12 ' A' ' 28' ' ' VAL . 71.6 t -38.16 113.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 29' ' ' ASN . 70.0 p -112.88 -25.24 9.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -147.03 167.22 24.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' A' ' 15' ' ' LEU . 24.0 mt -106.2 35.42 2.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 p -134.45 -74.87 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.411 ' O ' ' N ' ' A' ' 38' ' ' LYS . 6.1 mtt -76.51 -50.97 12.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 t -40.06 -30.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.556 ' CD1' ' HA ' ' A' ' 33' ' ' LEU . 74.9 m95 -92.25 -36.53 13.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 35' ' ' MET . 4.2 mtmp? -39.97 -39.74 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.475 ' HA ' HG13 ' A' ' 65' ' ' VAL . 2.3 t -58.0 -43.48 86.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.49 -41.16 2.31 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.511 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.512 HD23 ' OD1' ' A' ' 68' ' ' ASN . 85.8 mt -41.63 -51.86 3.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.795 0.331 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.64 -64.96 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.64 HD11 ' CE2' ' A' ' 109' ' ' PHE . 15.4 tp -47.03 -46.38 21.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 60.8 m -60.88 -39.67 90.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.44 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -65.1 -16.9 63.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.1 mm -79.29 -54.82 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.0 mt -62.42 -45.12 99.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' ARG . 31.2 t-80 -62.25 -47.09 85.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 48' ' ' HIS . 24.2 tpt180 -36.48 -52.75 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 113' ' ' PHE . 5.4 m-85 -89.51 -52.2 5.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -119.62 94.61 48.63 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -23.88 30.1 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.639 2.226 . . . . 0.0 112.365 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.43 -59.0 5.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.1 mt -43.07 -56.91 3.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.8 tt -122.02 136.03 60.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -107.8 102.99 12.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -71.27 -49.16 45.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -43.31 -41.07 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.4 t -73.14 -49.41 28.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.8 mt -49.05 145.99 3.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.461 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 7.8 m-20 -110.26 134.27 52.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 62' ' ' GLU . 1.6 pm0 -58.81 -11.86 3.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -77.75 -40.61 40.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.461 ' ND2' ' HB2' ' A' ' 61' ' ' ASP . 34.0 m-20 -74.94 114.0 12.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.475 HG13 ' HA ' ' A' ' 39' ' ' SER . 99.3 t -96.67 -44.66 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -70.4 -35.8 73.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -65.25 -61.55 2.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.512 ' OD1' HD23 ' A' ' 41' ' ' LEU . 2.9 m-80 -40.93 -40.41 1.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -77.02 -62.21 1.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -41.35 -39.52 1.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.2 tp -63.23 -68.05 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.48 -53.43 6.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -48.69 -29.08 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -89.69 -58.83 2.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.2 mm -50.79 -52.6 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -45.03 -71.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -53.74 -42.8 68.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -47.1 -57.36 5.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -99.39 -62.44 1.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 76' ' ' ALA . 20.1 mt -53.58 -58.33 7.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 113.26 -3.61 25.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.728 HG23 ' CD ' ' A' ' 108' ' ' GLN . 50.9 mt -71.38 99.93 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.848 0.356 . . . . 0.0 111.128 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.5 t -58.52 134.26 85.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.666 0.746 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 141.01 44.16 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.297 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.2 pt -88.39 -27.27 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.8 ptp -149.49 152.25 35.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 46.0 p -76.95 158.19 30.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.152 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -56.59 -44.62 90.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -63.32 -36.74 84.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.743 0.306 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -73.15 -22.33 60.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.0 ttt -94.0 -18.94 21.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.87 -18.08 24.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.7 m -95.19 -46.88 6.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.9 p -48.56 139.94 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.78 -33.11 83.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -170.55 136.66 1.19 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.633 0.73 . . . . 0.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.432 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 54.2 Cg_endo -69.71 -174.72 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.698 2.265 . . . . 0.0 112.393 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 99' ' ' LYS . 24.8 t0 -107.5 116.91 32.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.851 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 98' ' ' ASP . 9.0 tmtt? -34.07 -60.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 52.3 mt -50.77 -72.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.7 m -38.63 -54.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.812 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.432 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 93.6 mmm -50.35 -65.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.9 t -48.65 -61.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 45.0 mtm -43.85 -51.8 7.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -60.63 -61.9 2.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.936 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.61 ' HB2' HD21 ' A' ' 14' ' ' LEU . 46.8 mt -43.14 -49.93 6.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 106' ' ' LEU . 6.7 m -35.31 -53.9 0.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.181 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.728 ' CD ' HG23 ' A' ' 82' ' ' ILE . 50.3 mt-30 -37.1 -49.69 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.64 ' CE2' HD11 ' A' ' 43' ' ' LEU . 56.9 m-85 -60.82 -55.01 38.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.527 ' CD1' ' N ' ' A' ' 111' ' ' GLU . 0.6 OUTLIER -52.99 -57.25 10.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.952 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.527 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 62.9 mm-40 -47.79 -22.24 0.51 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 26.9 tpp -92.4 -29.9 16.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.507 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 24.3 m-85 -113.84 23.88 12.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 110' ' ' TYR . 5.8 ptmm? -79.67 -42.22 25.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.1 p30 -131.39 41.16 3.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 117' ' ' GLY . 4.4 t -50.52 156.12 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 116' ' ' SER . . . -35.31 149.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -22.5 31.81 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.321 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.8 m -52.84 96.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 39.4 t -49.67 105.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.818 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.462 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.0 m -110.14 113.9 26.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.952 0.406 . . . . 0.0 110.829 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 t -102.82 85.95 2.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.36 77.04 0.52 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.453 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 t -127.4 113.14 15.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.928 0.394 . . . . 0.0 110.806 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.9 p -40.85 115.66 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.76 -170.8 15.64 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.445 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.658 ' O ' HG12 ' A' ' 8' ' ' VAL . 39.9 t 48.69 40.27 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.866 0.365 . . . . 0.0 111.166 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.39 155.22 12.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -131.77 177.09 7.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.585 ' HA ' HD23 ' A' ' 15' ' ' LEU . 73.6 m -44.04 130.71 5.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 13' ' ' LYS . 16.1 m -59.98 143.85 50.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 12' ' ' SER . 12.0 ttmt -36.53 -42.99 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.424 HD21 ' CB ' ' A' ' 106' ' ' LEU . 12.6 tp -73.82 -53.42 10.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.585 HD23 ' HA ' ' A' ' 11' ' ' SER . 39.0 tp -42.3 -53.59 4.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.48 -51.95 6.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.512 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 27.7 t90 -51.02 -55.97 14.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.746 0.308 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.436 ' O ' HG23 ' A' ' 22' ' ' THR . 72.8 m -56.36 -44.07 79.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -56.29 -46.61 79.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -69.45 -47.55 63.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -63.77 -65.09 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 18' ' ' CYS . 63.6 p -46.05 -38.42 7.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -43.38 128.24 4.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.25 -36.09 3.66 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -62.77 -176.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.968 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.51 119.28 36.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.0 32.13 69.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.524 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.3 t -124.27 80.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 111.111 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -105.47 113.53 27.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.5 t -100.79 106.65 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.2 p -103.09 -31.53 10.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -134.55 -176.12 4.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.551 HD12 ' HE3' ' A' ' 99' ' ' LYS . 15.0 mt -120.11 42.1 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.425 ' O ' ' CG ' ' A' ' 97' ' ' PRO . 19.9 p -134.73 -55.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.8 mtt -100.03 -33.77 10.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.2 m -43.33 -24.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.431 ' O ' ' C ' ' A' ' 38' ' ' LYS . 39.9 m95 -104.72 -33.14 8.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 37' ' ' TRP . 6.7 mtpm? -35.81 -39.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.3 p -58.91 -59.35 5.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.83 -39.86 1.84 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.533 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.502 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 25.5 mt -49.3 -63.68 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -35.92 -62.77 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.8 tp -51.56 -37.07 47.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' LEU . 69.2 m -72.02 -33.13 67.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.8 -19.85 64.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.2 mm -73.91 -59.88 2.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.439 HG12 HD11 ' A' ' 80' ' ' LEU . 21.0 mt -57.43 -43.37 82.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 9.1 t-80 -66.37 -50.11 64.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 48' ' ' HIS . 22.6 tpt180 -34.35 -48.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -93.78 -50.19 5.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -123.69 95.72 44.28 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.569 0.699 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.578 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.81 -18.63 36.64 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -69.12 -62.18 1.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.3 mt -38.7 -54.61 1.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.1 tt -121.07 134.84 63.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -102.99 95.38 6.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.502 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 27.8 t80 -66.04 -47.55 74.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -47.14 -46.2 23.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.6 t -66.92 -42.59 85.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.578 HD21 HD22 ' A' ' 71' ' ' LEU . 82.3 mt -56.81 164.29 1.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.485 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 7.9 t0 -139.65 132.6 29.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.43 -29.87 11.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -58.8 -48.59 80.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -72.07 73.14 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 95.1 t -58.95 -56.1 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -57.59 -50.16 74.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 69' ' ' ASN . 7.1 tmtm? -55.42 -68.13 0.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 61' ' ' ASP . 10.2 m-80 -35.65 -31.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 67' ' ' LYS . 56.6 m-80 -83.53 -60.8 2.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.449 ' NE2' ' HA ' ' A' ' 70' ' ' GLN . 1.6 tp-100 -44.35 -45.64 8.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.578 HD22 HD21 ' A' ' 60' ' ' LEU . 24.4 tp -51.21 -71.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.95 -57.69 3.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -44.5 -28.15 0.54 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -92.18 -60.85 1.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.9 mm -47.65 -49.75 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -48.14 -67.17 0.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.057 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -55.61 -36.07 66.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -56.98 -51.34 69.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -104.2 -68.94 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.439 HD11 HG12 ' A' ' 47' ' ' ILE . 43.5 mt -45.81 -38.28 7.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.34 9.18 62.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.459 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 69.6 mt -89.19 121.25 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.825 0.345 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.1 p -79.69 130.39 67.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.647 0.737 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 135.08 29.43 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.65 2.234 . . . . 0.0 112.302 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.4 pt -76.09 -20.12 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 61.9 mtm -149.54 175.01 11.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 88' ' ' GLY . 11.9 p -110.62 142.32 42.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.64 -50.39 0.75 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.39 -51.79 57.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.32 -33.51 73.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.4 tpp -69.77 -42.84 73.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.88 -30.68 62.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.9 m -76.13 -54.85 6.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.1 p -53.57 149.18 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.58 -41.78 9.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -157.78 127.54 3.28 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.602 0.715 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.425 ' CG ' ' O ' ' A' ' 34' ' ' THR . 53.3 Cg_endo -69.81 170.34 16.86 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.675 2.25 . . . . 0.0 112.32 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 99' ' ' LYS . 9.2 t70 -90.17 118.72 29.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.551 ' HE3' HD12 ' A' ' 33' ' ' LEU . 35.2 tptt -37.26 -60.6 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 57.3 mt -46.87 -68.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 m -41.83 -53.81 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 92.2 mmm -54.09 -64.29 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.434 HG22 HD13 ' A' ' 33' ' ' LEU . 75.9 t -44.68 -63.88 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 47.3 mtm -42.38 -54.18 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -58.43 -64.94 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.424 ' CB ' HD21 ' A' ' 14' ' ' LEU . 58.2 mt -41.38 -50.6 3.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 106' ' ' LEU . 53.0 m -35.53 -45.09 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -45.59 -51.54 11.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -59.91 -46.1 90.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.499 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 1.5 t80 -60.22 -61.94 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.499 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 24.9 mt-10 -51.72 -16.96 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 33.0 tpp -87.15 -36.64 17.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -119.22 35.36 4.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 115' ' ' ASP . 32.7 pttt -86.23 -36.5 19.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 116' ' ' SER . 1.3 p-10 -77.58 -45.21 25.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 115' ' ' ASP . 30.1 t -37.29 -49.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -63.54 171.39 15.08 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -42.29 3.48 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.68 2.254 . . . . 0.0 112.32 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 25.6 t -57.56 137.08 56.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.3 t -75.29 169.91 17.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.479 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -62.48 -59.29 5.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.912 0.387 . . . . 0.0 110.871 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 t -87.12 -57.35 3.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.33 -170.56 31.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 p -110.71 169.14 8.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 0.0 110.838 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 t -126.37 132.52 51.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.856 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.11 48.0 59.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.415 ' O ' ' C ' ' A' ' 9' ' ' ALA . 53.3 t -132.68 135.99 56.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.824 0.345 . . . . 0.0 111.104 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' VAL . . . -35.84 -54.4 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -48.59 159.54 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.575 ' HA ' HD23 ' A' ' 15' ' ' LEU . 17.7 p 45.17 53.8 7.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 13' ' ' LYS . 6.2 t -57.09 132.51 53.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 12' ' ' SER . 4.8 tppp? -37.45 -44.6 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 15' ' ' LEU . 6.8 tp -66.1 -56.31 12.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.575 HD23 ' HA ' ' A' ' 11' ' ' SER . 19.5 tp -34.82 -60.52 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 17' ' ' TRP . . . -39.6 -66.47 0.74 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.483 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.447 ' C ' ' O ' ' A' ' 16' ' ' GLY . 71.9 t90 -34.1 -51.46 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.732 0.301 . . . . 0.0 110.914 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.753 ' O ' HG23 ' A' ' 22' ' ' THR . 39.0 m -58.18 -48.34 80.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.574 HE21 HD11 ' A' ' 15' ' ' LEU . 25.1 mt-30 -59.76 -50.53 73.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.482 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 1.5 mpt_? -59.99 -51.59 69.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -64.37 -63.46 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.753 HG23 ' O ' ' A' ' 18' ' ' CYS . 55.2 p -45.62 -37.35 5.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -45.55 123.79 4.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.02 -26.92 5.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.493 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.487 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 14.3 m-85 -71.85 -176.76 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 110.929 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.4 109.61 17.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.07 19.93 58.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.461 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.44 ' O ' HG12 ' A' ' 28' ' ' VAL . 59.2 t -118.96 70.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 111.096 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -94.56 106.93 18.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.0 t -85.63 103.77 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.43 HG23 ' OD2' ' A' ' 32' ' ' ASP . 11.1 t -119.93 -10.07 9.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.43 ' OD2' HG23 ' A' ' 31' ' ' THR . 8.5 m-20 -141.17 171.38 14.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.569 HD11 ' HB2' ' A' ' 15' ' ' LEU . 66.0 mt -117.4 18.33 14.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.8 p -120.59 -74.91 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.482 ' O ' ' N ' ' A' ' 38' ' ' LYS . 25.1 ptp -78.61 -36.81 43.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.4 t -39.86 -29.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.565 ' CH2' HD22 ' A' ' 106' ' ' LEU . 33.4 m95 -101.79 -25.0 13.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 35' ' ' MET . 7.9 mtpm? -45.57 -32.56 2.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 t -63.28 -52.14 63.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.35 -37.51 3.22 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 42' ' ' ALA . 47.7 mt -49.74 -64.46 0.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -34.57 -68.06 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tp -45.91 -41.18 11.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.424 ' HA ' HD13 ' A' ' 55' ' ' ILE . 61.9 m -65.35 -41.67 93.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.487 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -65.98 -16.8 64.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.5 mm -78.45 -50.04 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.26 -40.37 86.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.513 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 5.9 t-80 -70.54 -44.44 67.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' HIS . 9.5 tpt180 -35.24 -44.88 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -99.38 -48.36 4.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 14.3 mmm180 -124.05 95.27 44.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.513 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.82 -29.26 23.85 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -56.37 -54.12 49.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.0 mt -48.3 -62.67 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 44' ' ' CYS . 7.9 tt -116.45 132.41 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -100.33 106.75 18.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -76.94 -31.61 56.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -57.78 -47.1 83.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 t -70.17 -46.65 64.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.8 mt -48.68 149.19 1.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -115.8 158.1 23.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -81.26 -15.36 55.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -81.96 -29.11 32.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -84.93 116.35 23.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.1 t -99.38 -66.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -48.39 -32.87 8.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -68.46 -71.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -39.56 -32.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -79.44 -61.14 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -48.16 -36.13 12.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.0 tp -63.12 -68.74 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.34 -50.3 12.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -52.86 -28.29 22.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -89.3 -58.49 2.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 42.8 mm -52.37 -49.56 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.18 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -45.94 -70.76 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -57.71 -38.18 74.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -50.36 -49.54 53.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -109.72 -64.79 1.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 76' ' ' ALA . 20.3 mt -50.51 -42.48 54.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 99.36 -14.36 60.98 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.54 HG23 ' CD ' ' A' ' 108' ' ' GLN . 83.9 mt -62.72 97.33 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.818 0.342 . . . . 0.0 111.152 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 89.1 p -59.23 132.98 87.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.665 0.745 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 153.12 69.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.254 . . . . 0.0 112.344 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.6 pt -97.37 -23.07 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.089 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 70.1 mtm -145.35 168.15 21.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.6 p -97.06 147.64 23.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.132 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -43.75 -48.31 7.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.445 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.87 -40.9 98.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -65.84 -24.49 66.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 11.1 ttt -78.65 -35.9 44.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.41 -21.17 39.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 96.9 p -81.78 -44.52 16.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.5 p -62.61 148.16 11.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.77 -30.14 36.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.538 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -170.39 126.46 0.7 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.619 0.723 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 168.01 22.83 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.705 2.27 . . . . 0.0 112.306 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -87.43 123.08 31.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -39.08 -59.63 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 101' ' ' SER . 31.1 mt -51.65 -72.66 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 100' ' ' LEU . 56.2 m -36.6 -44.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 88.9 mmm -63.34 -60.2 3.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 38.2 t -49.23 -57.75 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 30.8 mtp -45.48 -51.05 12.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -62.7 -60.64 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.565 HD22 ' CH2' ' A' ' 37' ' ' TRP . 27.9 mt -44.41 -44.56 8.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.945 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 92.4 m -43.76 -50.02 7.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.54 ' CD ' HG23 ' A' ' 82' ' ' ILE . 44.5 mt-30 -40.69 -54.44 2.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -59.72 -53.65 55.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.55 ' CD1' ' N ' ' A' ' 111' ' ' GLU . 1.2 t80 -51.61 -63.32 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.55 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 12.4 mm-40 -42.07 -38.26 1.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 34.2 ttm -70.65 -47.02 62.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.446 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 14.5 m-85 -104.67 33.7 3.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.854 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 110' ' ' TYR . 14.5 pttt -74.36 -46.3 41.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -128.43 46.8 2.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.5 m -90.7 -41.72 11.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 60.36 147.23 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -50.18 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.68 2.253 . . . . 0.0 112.324 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 24.2 m -164.7 158.37 17.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 66.3 m -75.04 100.89 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t 39.94 42.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 110.848 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 m -82.07 126.56 32.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.86 -105.07 1.65 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -75.03 154.98 37.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.851 0.358 . . . . 0.0 110.873 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -88.1 -36.26 17.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.31 159.53 46.9 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.442 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 m -150.06 167.31 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.819 0.342 . . . . 0.0 111.091 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -106.31 42.33 1.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -93.66 176.65 6.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.4 ' HA ' HD23 ' A' ' 15' ' ' LEU . 37.2 p -39.47 115.33 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 13' ' ' LYS . 31.9 t -60.82 140.3 57.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 12' ' ' SER . 19.0 mttp -37.36 -47.7 0.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.659 HD21 ' HB2' ' A' ' 106' ' ' LEU . 14.2 tp -61.32 -57.62 11.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.959 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.736 ' HB2' HD11 ' A' ' 33' ' ' LEU . 21.0 tp -42.85 -54.32 4.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -37.51 -56.63 1.56 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.496 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.543 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 28.9 t90 -47.92 -64.47 0.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.741 0.305 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.5 m -43.39 -56.0 3.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -46.36 -41.0 12.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.1 mtt-85 -74.71 -46.44 37.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.47 ' HG3' ' CZ2' ' A' ' 17' ' ' TRP . 48.8 mm-40 -65.32 -65.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 79.5 p -46.78 -32.01 3.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -43.31 116.84 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.72 -36.98 2.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -74.48 145.07 43.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.917 0.389 . . . . 0.0 110.881 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.48 126.38 35.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.139 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.24 -17.95 48.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.599 ' O ' HG12 ' A' ' 28' ' ' VAL . 71.3 t -88.92 62.11 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 111.179 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.425 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 12.5 p-10 -88.09 94.4 9.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -77.86 94.2 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.0 p -91.59 -37.9 12.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -131.52 179.87 5.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.736 HD11 ' HB2' ' A' ' 15' ' ' LEU . 86.1 mt -112.01 42.07 1.83 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.0 p -134.44 -69.74 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' TRP . 26.2 ptm -83.32 -39.81 20.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 65.8 m -40.76 -25.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' LYS . 58.9 m95 -103.65 -34.86 8.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' TRP . 8.2 mtpm? -34.67 -51.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.534 ' HA ' HG13 ' A' ' 65' ' ' VAL . 1.5 t -51.79 -55.92 16.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.29 -34.87 3.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.533 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.431 HD11 ' HA ' ' A' ' 62' ' ' GLU . 97.3 mt -44.84 -59.51 2.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.849 0.356 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -39.03 -68.99 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.9 tp -40.62 -39.73 1.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.0 m -68.98 -42.71 76.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.43 -28.8 67.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.06 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.0 mm -67.33 -55.04 18.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.137 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.413 HG12 HD11 ' A' ' 80' ' ' LEU . 78.2 mt -64.78 -41.58 92.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -66.9 -43.1 84.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.1 tpt85 -39.28 -50.9 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -92.68 -52.27 4.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.485 ' HD2' HD11 ' A' ' 54' ' ' LEU . 25.0 mtt85 -116.74 96.23 48.08 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.633 0.73 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -22.86 31.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.252 . . . . 0.0 112.298 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 54' ' ' LEU . 19.9 t0 -64.73 -65.09 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.485 HD11 ' HD2' ' A' ' 51' ' ' ARG . 16.6 mt -34.22 -53.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.463 HD11 HD23 ' A' ' 71' ' ' LEU . 5.8 tt -130.33 135.08 61.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -102.58 104.35 14.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -67.0 -42.12 85.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -50.46 -45.52 56.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.6 t -66.73 -49.16 66.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.417 HD21 ' CD2' ' A' ' 71' ' ' LEU . 89.5 mt -50.44 145.89 5.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -116.17 133.99 55.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.431 ' HA ' HD11 ' A' ' 41' ' ' LEU . 1.8 pm0 -50.82 -36.98 40.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -55.98 -45.22 79.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.458 ' HB2' ' ND2' ' A' ' 68' ' ' ASN . 80.1 m-20 -65.02 114.15 4.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.534 HG13 ' HA ' ' A' ' 39' ' ' SER . 85.8 t -102.25 -66.74 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -51.79 -48.9 63.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 68' ' ' ASN . 0.2 OUTLIER -55.87 -67.07 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.458 ' ND2' ' HB2' ' A' ' 64' ' ' ASN . 5.0 m-80 -35.78 -36.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 65' ' ' VAL . 69.4 m-80 -76.93 -59.38 2.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.447 ' NE2' ' HA ' ' A' ' 70' ' ' GLN . 2.2 tp-100 -47.14 -39.94 14.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.463 HD23 HD11 ' A' ' 55' ' ' ILE . 39.4 tp -57.09 -68.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.27 -50.86 20.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -48.93 -24.6 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -97.09 -55.36 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 43.4 mm -52.47 -48.86 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -45.78 -73.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -52.88 -45.52 67.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -44.16 -53.43 6.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -104.22 -65.12 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 76' ' ' ALA . 13.9 mt -51.5 -50.48 59.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 103.5 8.77 39.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.1 mt -85.01 104.83 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.854 0.359 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.3 t -63.81 132.48 95.24 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.682 0.753 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 156.93 62.0 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.329 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.448 HG13 ' N ' ' A' ' 86' ' ' MET . 29.5 pt -106.02 -35.97 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.448 ' N ' HG13 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -126.29 161.76 27.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 28.0 p -94.64 141.65 28.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.51 -42.71 2.71 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -41.69 96.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.748 0.309 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -67.18 -23.93 65.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 11.8 tpp -79.72 -32.87 41.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.34 -34.99 28.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 m -76.04 -51.52 12.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.425 HG22 ' H ' ' A' ' 96' ' ' GLU . 9.8 p -48.22 136.0 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -68.47 -31.07 73.41 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.48 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.425 ' H ' HG22 ' A' ' 94' ' ' VAL . 45.4 tt0 -172.16 130.01 0.65 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.633 0.73 . . . . 0.0 110.906 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 157.35 60.76 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.639 2.226 . . . . 0.0 112.337 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -80.14 124.58 28.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.421 ' O ' HG23 ' A' ' 103' ' ' VAL . 5.6 tppt? -41.99 -58.96 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.1 mt -45.87 -66.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.0 m -43.61 -56.05 3.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 91.7 mmm -52.2 -63.9 0.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.824 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 99' ' ' LYS . 86.9 t -45.94 -60.28 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.123 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 107' ' ' THR . 16.3 mtm -51.14 -67.41 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.455 ' O ' ' CD ' ' A' ' 108' ' ' GLN . 53.4 t80 -41.6 -46.96 3.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.659 ' HB2' HD21 ' A' ' 14' ' ' LEU . 41.0 mt -63.07 -31.76 72.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.949 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 104' ' ' MET . 54.1 m -40.12 -59.94 1.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.455 ' CD ' ' O ' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -43.51 -53.95 5.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -53.81 -45.19 70.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.438 ' O ' ' N ' ' A' ' 114' ' ' LYS . 2.3 t80 -65.01 -64.34 0.89 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.408 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 64.0 mt-10 -50.35 -29.61 10.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 36.6 tpp -66.39 -32.53 73.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.543 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 28.5 m-85 -129.96 28.49 5.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 110' ' ' TYR . 41.8 pttt -81.56 -18.19 45.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 116' ' ' SER . 11.6 m-20 -86.52 -56.31 3.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.895 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 115' ' ' ASP . 66.9 m -35.24 104.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 115.76 -164.53 12.2 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.449 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 154.97 66.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.8 p -117.21 27.95 8.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.2 p -167.1 141.47 3.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.422 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -124.15 92.79 3.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 0.0 110.845 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.6 t -77.56 -60.01 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.826 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.97 -134.87 7.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.485 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.1 p -80.79 159.6 25.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m -54.31 132.28 43.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.62 -84.93 0.12 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.3 m -46.38 157.49 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 111.168 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 10' ' ' ARG . . . -119.76 166.96 12.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 9' ' ' ALA . 4.4 mmp_? -34.56 144.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.82 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.5 m -86.8 158.72 19.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 13' ' ' LYS . 3.3 m -131.16 140.5 49.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 12' ' ' SER . 21.7 mmtp -38.12 -47.91 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.763 HD21 ' HB2' ' A' ' 106' ' ' LEU . 34.9 tp -65.85 -53.24 42.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.477 ' HB2' HD11 ' A' ' 33' ' ' LEU . 27.2 tp -46.43 -58.57 3.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -36.53 -57.63 1.17 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.463 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.516 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 20.8 t90 -47.58 -60.99 2.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.757 0.313 . . . . 0.0 110.91 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.7 m -49.46 -47.14 48.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -55.62 -43.36 76.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.5 mtt85 -71.4 -39.4 71.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.405 ' C ' ' N ' ' A' ' 23' ' ' ASP . 41.2 mm-40 -74.52 -67.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.502 HG21 HG21 ' A' ' 30' ' ' VAL . 68.4 p -44.16 -22.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.174 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 21' ' ' GLN . 32.3 t0 -53.08 115.44 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.7 -32.03 2.98 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.465 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.563 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 44.5 m-85 -69.82 174.01 5.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.914 0.388 . . . . 0.0 110.878 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.09 132.91 56.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.14 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.92 -2.12 70.71 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 29' ' ' ASN . 96.1 t -91.26 -74.06 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.338 . . . . 0.0 111.134 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.565 ' O ' HG23 ' A' ' 31' ' ' THR . 43.1 t30 37.34 54.9 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.502 HG21 HG21 ' A' ' 22' ' ' THR . 46.3 t -35.51 125.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 29' ' ' ASN . 65.8 p -120.8 -21.7 6.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -148.23 176.45 10.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.646 HD13 HG22 ' A' ' 103' ' ' VAL . 11.2 mt -115.26 36.98 3.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 p -133.77 -74.35 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.8 mtp -81.22 -44.5 17.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -44.75 -24.23 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.509 ' CD1' ' HA ' ' A' ' 33' ' ' LEU . 53.1 m95 -100.15 -35.47 9.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -41.15 -41.29 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.8 p -54.52 -43.29 71.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.48 -39.3 2.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.492 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.659 HD23 ' OD1' ' A' ' 68' ' ' ASN . 58.1 mt -49.68 -60.12 3.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.337 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -41.73 -56.25 2.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.0 tp -56.0 -41.87 75.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.448 ' SG ' HD13 ' A' ' 60' ' ' LEU . 84.9 m -64.12 -38.95 92.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.563 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -62.38 -24.25 67.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 49.1 mm -69.66 -59.52 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.0 mt -59.73 -38.43 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 9.5 t-80 -74.36 -40.79 61.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -39.0 -42.45 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -98.62 -53.02 3.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.407 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 46.1 mtt-85 -120.16 95.95 49.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.578 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.8 -17.73 37.24 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.657 2.238 . . . . 0.0 112.366 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.44 -53.5 23.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.567 HD22 ' HG3' ' A' ' 79' ' ' GLU . 31.9 mt -46.31 -57.01 4.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.515 HG23 ' HB2' ' A' ' 48' ' ' HIS . 6.4 tt -120.58 145.3 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -106.73 96.65 6.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -74.98 -39.2 61.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -52.03 -44.0 64.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.0 t -71.99 -47.43 52.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.483 HD11 HD23 ' A' ' 71' ' ' LEU . 71.6 mt -49.45 162.08 0.17 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -143.52 175.4 9.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -84.88 -24.97 28.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -60.73 -30.49 70.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.428 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.8 OUTLIER -99.54 85.17 3.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 85.4 t -71.08 -56.11 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -58.76 -43.92 90.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 68' ' ' ASN . 33.5 tttp -58.09 -67.21 0.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.659 ' OD1' HD23 ' A' ' 41' ' ' LEU . 2.8 m-80 -35.58 -37.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 65' ' ' VAL . 75.2 m-80 -78.46 -61.23 2.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -42.05 -44.94 3.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.483 HD23 HD11 ' A' ' 60' ' ' LEU . 34.9 tp -53.58 -67.53 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 74' ' ' ASP . . . -47.3 -54.94 9.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -45.04 -22.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 72' ' ' ALA . 9.1 t0 -99.78 -56.53 2.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.2 -46.87 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -48.52 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.69 -46.14 63.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -43.12 -54.8 4.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.567 ' HG3' HD22 ' A' ' 54' ' ' LEU . 31.9 mm-40 -103.0 -64.46 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 76' ' ' ALA . 15.4 mt -51.92 -48.62 64.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.25 -1.4 43.63 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.521 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.4 mt -75.53 106.78 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 111.104 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.4 p -65.79 131.99 94.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.68 0.752 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 146.22 59.52 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.326 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.448 HG23 ' CD1' ' A' ' 105' ' ' TYR . 39.3 pt -91.45 -21.77 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.2 ptp -152.24 176.01 12.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 58.3 p -102.45 151.44 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -47.48 -39.53 15.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.2 tttm -61.28 -54.69 40.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.746 0.308 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -55.31 -20.68 12.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.0 tpp -85.2 -24.57 27.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.46 -30.73 17.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.9 t -76.75 -49.13 16.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.9 p -56.98 145.99 6.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -73.88 -31.94 59.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -172.65 133.83 0.72 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.596 0.712 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 173.57 10.74 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.242 . . . . 0.0 112.398 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 98' ' ' ASP . 42.9 t0 -92.91 113.15 25.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 103' ' ' VAL . 1.0 OUTLIER -36.49 -49.74 0.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.4 mt -56.71 -68.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.3 m -43.2 -52.38 5.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 79.0 mmm -53.91 -64.91 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.646 HG22 HD13 ' A' ' 33' ' ' LEU . 73.5 t -44.18 -46.43 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 39.5 mtt -60.34 -65.51 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.448 ' CD1' HG23 ' A' ' 85' ' ' ILE . 69.5 t80 -48.76 -36.51 16.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.763 ' HB2' HD21 ' A' ' 14' ' ' LEU . 89.2 mt -68.51 -34.15 75.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.7 m -37.91 -60.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.404 ' OE1' ' O ' ' A' ' 105' ' ' TYR . 0.5 OUTLIER -42.27 -58.02 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -48.2 -38.14 17.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.488 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 1.8 t80 -77.08 -64.94 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.488 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 9.8 mm-40 -47.16 -31.51 3.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 33.4 ttm -66.23 -39.33 89.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.516 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 29.7 m-85 -120.87 31.85 6.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -82.8 -29.59 29.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 116' ' ' SER . 20.2 m-20 -72.9 -50.63 22.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 115' ' ' ASP . 55.9 p -37.52 139.15 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -77.28 145.37 30.59 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 157.45 60.24 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.71 2.273 . . . . 0.0 112.294 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 60.1 p -174.97 162.95 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.4 m -113.88 150.26 33.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.49 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -165.93 163.54 18.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.363 . . . . 0.0 110.833 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 t -138.98 157.36 46.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.46 94.97 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.522 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.9 t -78.19 -61.83 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.915 0.388 . . . . 0.0 110.866 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 t -97.51 133.87 41.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.826 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.54 -177.03 14.96 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.729 ' O ' HG13 ' A' ' 8' ' ' VAL . 4.7 p -101.38 43.72 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.33 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -42.05 107.94 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.111 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -148.09 149.68 32.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.739 ' HA ' HD23 ' A' ' 15' ' ' LEU . 95.0 p -95.37 106.44 18.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.5 m -67.42 147.12 53.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -39.68 -54.21 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.491 HD21 ' HB2' ' A' ' 106' ' ' LEU . 25.7 tp -57.21 -54.53 45.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.739 HD23 ' HA ' ' A' ' 11' ' ' SER . 30.0 tp -41.65 -64.6 0.55 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -35.61 -62.46 0.65 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -40.16 -53.9 2.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.771 0.32 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.6 m -61.1 -42.73 99.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.956 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -56.69 -34.08 67.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 -84.02 -48.43 9.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -61.2 -56.82 16.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.8 p -57.39 -26.0 60.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -52.12 121.15 6.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.38 -28.18 4.08 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -74.28 177.16 6.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.854 0.359 . . . . 0.0 110.92 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -101.22 132.19 46.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.095 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.55 27.05 33.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.673 ' O ' HG12 ' A' ' 28' ' ' VAL . 55.5 t -116.65 74.25 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -104.57 104.8 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.5 t -77.86 102.72 4.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.4 m -101.4 -32.7 10.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -138.43 173.14 11.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.428 HD21 ' HA ' ' A' ' 15' ' ' LEU . 2.8 mt -111.93 37.86 2.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.4 p -132.12 -74.88 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.6 ptm -85.31 -31.54 22.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.17 -26.08 4.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.428 ' O ' ' C ' ' A' ' 38' ' ' LYS . 42.0 m95 -101.03 -34.66 9.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 37' ' ' TRP . 6.3 mtpm? -35.6 -39.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.3 t -55.91 -59.64 4.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.72 -40.97 1.66 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.515 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.46 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 89.4 mt -42.29 -67.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.341 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -38.31 -69.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.7 tp -42.74 -40.12 2.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 77.0 m -71.95 -31.32 66.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -73.54 -15.57 61.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.2 mm -77.45 -55.52 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mt -62.09 -44.48 99.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.499 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 45.7 t-80 -64.46 -49.92 69.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 48' ' ' HIS . 18.7 tpt85 -36.5 -50.43 0.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 113' ' ' PHE . 43.0 m-85 -88.79 -53.58 4.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -122.16 95.9 46.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.61 0.719 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.499 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.71 -22.86 31.73 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.353 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -64.84 -47.98 75.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.9 mt -50.34 -66.5 0.38 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.3 tt -113.04 139.58 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -102.43 105.42 15.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.46 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 14.4 t80 -73.94 -53.21 10.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.87 -30.89 4.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.0 t -75.87 -46.95 27.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.731 HD13 ' OD1' ' A' ' 68' ' ' ASN . 46.6 mt -55.25 174.53 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 62' ' ' GLU . 60.4 t0 -140.04 131.09 26.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.41 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 11.3 pt-20 -46.13 -38.58 8.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -58.66 -45.8 88.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -64.85 115.83 5.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.6 t -104.37 -62.11 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -57.65 -21.42 39.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 68' ' ' ASN . 0.1 OUTLIER -80.52 -69.42 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.731 ' OD1' HD13 ' A' ' 60' ' ' LEU . 10.6 m-80 -37.0 -39.97 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -76.43 -58.97 2.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -44.24 -44.25 7.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 38.9 tp -59.43 -67.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.62 -58.21 2.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -45.23 -31.73 1.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -87.69 -62.11 1.57 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.5 mm -46.2 -51.62 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -43.7 -73.4 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.058 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -52.6 -45.75 66.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -43.88 -53.37 6.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -104.44 -65.31 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 76' ' ' ALA . 14.8 mt -51.18 -59.87 3.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.94 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 115.58 1.58 21.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.497 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.478 HG21 ' CE1' ' A' ' 109' ' ' PHE . 58.9 mt -75.57 102.0 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 111.136 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 97.1 p -62.67 124.13 81.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.673 0.749 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 140.23 42.24 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.688 2.259 . . . . 0.0 112.374 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.9 pt -79.57 -26.94 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.081 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 51.6 mtm -147.52 -177.62 5.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.2 p -115.95 150.3 37.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -43.72 -40.6 5.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.01 -45.12 96.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.727 0.299 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -68.7 -36.93 79.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 32.4 ttm -69.57 -32.92 71.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.12 -29.3 54.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.048 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.2 t -80.67 -54.28 5.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.872 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.471 HG22 ' H ' ' A' ' 96' ' ' GLU . 10.4 p -53.51 139.61 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.083 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -69.84 -33.33 70.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.471 ' H ' HG22 ' A' ' 94' ' ' VAL . 19.9 tt0 -167.32 134.01 1.84 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.658 0.742 . . . . 0.0 110.919 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -179.14 2.7 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.347 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -96.77 134.11 40.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -51.04 -57.06 9.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.826 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 101' ' ' SER . 55.5 mt -54.7 -71.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 100' ' ' LEU . 5.6 t -38.0 -50.44 1.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 87.2 mmm -56.65 -62.26 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 43.9 t -47.6 -61.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 44.7 mtt -47.53 -54.5 11.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -54.13 -63.06 1.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.96 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.491 ' HB2' HD21 ' A' ' 14' ' ' LEU . 65.5 mt -46.02 -49.09 16.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.941 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 106' ' ' LEU . 24.6 m -36.56 -48.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -43.52 -46.28 6.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.478 ' CE1' HG21 ' A' ' 82' ' ' ILE . 72.4 m-85 -65.18 -50.68 65.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.495 ' CD1' ' N ' ' A' ' 111' ' ' GLU . 1.0 OUTLIER -54.69 -58.79 6.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.495 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 9.5 mt-10 -51.74 -27.06 10.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 27.0 tpp -77.26 -40.7 43.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 50' ' ' TYR . 23.2 m-85 -109.18 22.99 15.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 110' ' ' TYR . 49.4 pttt -70.98 -45.37 64.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.435 ' N ' ' HG3' ' A' ' 114' ' ' LYS . 3.5 m-20 -75.59 -54.73 6.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 115' ' ' ASP . 32.7 t -37.56 -39.75 0.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -71.77 155.13 51.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.485 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -174.91 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.38 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 t -71.35 157.96 37.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.9 t -128.12 119.64 25.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t -122.51 115.77 22.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.379 . . . . 0.0 110.861 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.1 p -53.48 159.59 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.47 -160.62 47.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.51 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.0 p -111.02 164.27 12.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.876 0.369 . . . . 0.0 110.888 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -164.61 158.39 17.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.83 72.91 0.37 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.445 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.4 m -141.39 158.01 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.0 111.114 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 49.5 38.17 13.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.085 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.8 mmm-85 -129.89 156.68 43.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.0 m -79.27 112.34 16.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.8 m -91.71 146.59 23.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -46.48 -47.56 19.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.556 HD21 ' HB2' ' A' ' 106' ' ' LEU . 11.5 tp -61.82 -53.79 51.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.648 ' HB2' HD11 ' A' ' 33' ' ' LEU . 30.4 tp -39.68 -61.47 0.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -38.89 -60.37 1.54 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.474 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 41.5 t90 -42.03 -52.46 4.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.745 0.307 . . . . 0.0 110.955 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.419 ' O ' HG23 ' A' ' 22' ' ' THR . 61.8 m -63.48 -45.51 90.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -57.01 -33.62 67.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -81.89 -49.93 9.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -62.43 -57.49 11.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 18' ' ' CYS . 68.4 p -53.28 -39.71 64.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.409 ' C ' ' OD1' ' A' ' 23' ' ' ASP . 5.1 t0 -43.72 123.24 3.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.1 -32.07 4.09 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.436 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.608 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 16.6 m-85 -63.51 -176.27 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.931 0.396 . . . . 0.0 110.927 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.29 113.1 24.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.07 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.87 28.52 60.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.478 ' O ' HG12 ' A' ' 28' ' ' VAL . 85.1 t -122.76 78.25 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 111.131 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 8.1 p-10 -104.46 105.03 14.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.422 HG22 ' HB3' ' A' ' 36' ' ' SER . 75.6 t -87.57 105.64 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.478 HG23 ' OD2' ' A' ' 32' ' ' ASP . 9.9 t -103.93 -21.31 13.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.167 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.478 ' OD2' HG23 ' A' ' 31' ' ' THR . 26.3 m-20 -150.77 149.01 29.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.648 HD11 ' HB2' ' A' ' 15' ' ' LEU . 8.2 mt -82.27 43.24 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.1 p -132.24 -74.2 0.51 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 37' ' ' TRP . 22.4 ptm -81.19 -38.91 26.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.422 ' HB3' HG22 ' A' ' 30' ' ' VAL . 49.9 m -38.62 -26.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.495 ' N ' ' O ' ' A' ' 35' ' ' MET . 49.2 m95 -102.85 -32.53 9.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 35' ' ' MET . 10.3 mtpt -40.02 -48.19 2.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.4 t -51.13 -55.77 16.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.53 -42.43 1.59 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.498 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.5 mt -45.67 -59.22 2.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -39.44 -70.48 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.1 tp -44.5 -41.49 6.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 79.8 m -66.48 -32.72 74.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.608 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -71.57 -17.02 62.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.4 mm -78.95 -44.72 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.411 ' CG2' ' HB2' ' A' ' 54' ' ' LEU . 97.1 mt -71.29 -38.5 69.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' A' ' 49' ' ' ARG . 11.4 t-80 -72.61 -50.44 25.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' HIS . 14.0 tpt180 -34.9 -42.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -99.37 -51.94 3.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.942 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -122.35 96.71 45.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.599 0.714 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -19.03 36.6 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.65 2.233 . . . . 0.0 112.368 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.83 -55.86 11.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.411 ' HB2' ' CG2' ' A' ' 47' ' ' ILE . 8.2 mt -42.7 -60.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.2 tt -119.42 147.61 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -111.36 98.92 7.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -63.74 -55.47 22.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -42.93 -40.54 3.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 p -68.92 -40.69 78.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.452 HD21 ' CD2' ' A' ' 71' ' ' LEU . 65.0 mt -68.38 146.44 53.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -120.39 139.86 52.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -48.26 -45.33 34.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -47.61 -47.69 28.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.416 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 5.3 m-20 -68.26 110.71 4.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.5 t -98.75 -66.32 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -51.36 -37.2 46.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 68' ' ' ASN . 20.3 tttp -64.96 -69.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 67' ' ' LYS . 5.3 m-80 -36.52 -35.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -79.87 -62.15 1.77 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -44.0 -36.91 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.452 ' CD2' HD21 ' A' ' 60' ' ' LEU . 26.1 tp -63.06 -69.08 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.56 -59.06 1.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -42.39 -32.27 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -88.8 -59.42 2.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 42.9 mm -47.14 -52.33 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -46.1 -72.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -54.36 -33.62 59.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -59.26 -44.14 92.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -112.53 -65.01 1.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 76' ' ' ALA . 19.6 mt -51.15 -46.26 61.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 103.17 -7.57 52.16 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.486 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.464 HG23 ' CD ' ' A' ' 108' ' ' GLN . 63.6 mt -71.64 108.84 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.361 . . . . 0.0 111.137 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 76.9 p -67.55 129.11 93.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.641 0.734 . . . . 0.0 110.814 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 147.65 63.35 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.529 HD12 ' HB3' ' A' ' 101' ' ' SER . 30.2 pt -92.85 -33.34 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.15 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -128.99 174.74 9.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 88' ' ' GLY . 78.2 p -117.28 142.0 47.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.73 -46.95 0.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -47.41 81.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 87' ' ' THR . 4.5 mm-40 -66.63 -21.98 66.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.7 ttm -83.8 -37.24 22.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.42 -27.58 46.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.7 m -83.77 -54.85 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.1 p -52.59 138.47 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.75 -40.14 95.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.464 ' CG ' ' HD2' ' A' ' 97' ' ' PRO . 24.3 tt0 -162.41 139.04 5.98 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.626 0.726 . . . . 0.0 110.879 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 53.7 Cg_endo -69.8 176.85 6.26 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.659 2.239 . . . . 0.0 112.324 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -102.07 124.87 48.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.831 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.539 ' O ' HG23 ' A' ' 103' ' ' VAL . 13.7 tppt? -41.33 -52.1 3.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.8 mt -54.24 -65.34 0.59 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.529 ' HB3' HD12 ' A' ' 85' ' ' ILE . 60.4 m -46.89 -52.82 13.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.413 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 84.8 mmm -53.64 -63.4 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 99' ' ' LYS . 94.3 t -50.5 -63.17 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.7 mtt -46.49 -49.69 18.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.462 ' HB2' HD13 ' A' ' 85' ' ' ILE . 32.8 t80 -59.74 -66.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.556 ' HB2' HD21 ' A' ' 14' ' ' LEU . 44.5 mt -43.13 -48.14 6.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 106' ' ' LEU . 89.5 m -34.96 -47.36 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.464 ' CD ' HG23 ' A' ' 82' ' ' ILE . 51.2 mt-30 -47.03 -47.34 22.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 106' ' ' LEU . 66.8 m-85 -67.63 -49.33 63.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.481 ' O ' ' N ' ' A' ' 114' ' ' LYS . 1.4 t80 -53.97 -60.64 3.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.478 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 13.8 mt-10 -49.51 -30.89 9.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 22.9 tpp -74.54 -35.93 63.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.474 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 23.8 m-85 -113.74 24.95 11.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 110' ' ' TYR . 11.0 pttp -76.84 -38.76 53.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.438 ' N ' ' HG3' ' A' ' 114' ' ' LYS . 22.4 t70 -61.0 -39.22 88.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 115' ' ' ASP . 10.9 p -38.32 121.2 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 87.92 178.94 47.53 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 179.37 3.73 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.246 . . . . 0.0 112.368 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.1 t -162.38 117.14 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 14.5 t -95.82 135.85 37.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 t -77.94 -61.5 1.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 110.91 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.5 p -85.67 147.7 26.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.76 -156.71 12.38 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.461 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 t -103.04 110.08 21.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.883 0.373 . . . . 0.0 110.831 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.7 m -69.76 155.79 39.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.66 87.27 1.05 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.7 p -130.18 137.62 55.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.339 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.36 -19.89 11.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -79.29 178.84 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 99.9 p -41.44 107.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 13' ' ' LYS . 2.4 m -47.59 133.38 13.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 12' ' ' SER . 16.9 mmtp -34.76 -49.19 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 tp -57.8 -56.94 15.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.6 tp -41.1 -57.22 2.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.88 -59.4 2.07 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.478 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.44 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 31.3 t90 -39.73 -48.47 2.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.737 0.303 . . . . 0.0 110.932 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.2 m -65.91 -48.78 70.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -54.7 -36.15 64.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -79.93 -49.2 12.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -61.69 -60.09 4.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.8 p -51.79 -30.39 22.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -44.75 124.18 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.26 -29.34 5.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.519 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -75.11 -177.15 3.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.936 0.398 . . . . 0.0 110.91 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.55 118.89 35.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.057 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.93 28.87 74.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.497 ' O ' ' N ' ' A' ' 30' ' ' VAL . 39.7 t -117.87 -20.93 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 111.144 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 28' ' ' VAL . 13.5 t30 -36.79 93.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 28' ' ' VAL . 72.9 t -59.53 133.04 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.6 p -118.46 -26.23 6.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -140.72 -175.51 4.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.431 HD13 HG22 ' A' ' 103' ' ' VAL . 41.1 mt -119.23 31.98 6.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.5 p -132.49 -72.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.173 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 38' ' ' LYS . 17.6 mtp -79.22 -46.21 18.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.1 m -38.73 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.455 ' CH2' HD22 ' A' ' 106' ' ' LEU . 77.3 m95 -96.53 -33.22 11.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 35' ' ' MET . 8.7 mtpm? -38.9 -45.23 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.3 t -53.06 -59.52 4.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.06 -37.48 2.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 42' ' ' ALA . 83.2 mt -45.9 -59.12 3.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.446 ' HA ' HG13 ' A' ' 28' ' ' VAL . . . -35.89 -70.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.085 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.6 tp -43.2 -43.8 4.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 67.6 m -64.83 -36.6 84.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.34 -8.28 54.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.5 mm -87.59 -41.46 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 81.4 mt -76.08 -41.17 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.45 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 11.6 t-80 -68.44 -40.97 80.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.6 tpt85 -40.01 -42.04 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -101.69 -52.36 3.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.469 ' NE ' HD11 ' A' ' 54' ' ' LEU . 15.6 mtm180 -122.24 95.7 46.95 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 110.85 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.45 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 54.4 Cg_endo -69.75 -26.07 28.02 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.717 2.278 . . . . 0.0 112.381 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -58.16 -49.54 76.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.469 HD11 ' NE ' ' A' ' 51' ' ' ARG . 16.2 mt -50.4 -65.75 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.5 tt -114.08 132.32 63.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -97.2 105.11 17.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -70.11 -46.83 64.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -51.19 -41.89 60.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.5 p -65.17 -39.06 92.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.436 HD13 ' OD1' ' A' ' 68' ' ' ASN . 88.2 mt -66.49 168.18 9.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -148.32 131.51 16.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.417 ' CD ' ' N ' ' A' ' 63' ' ' GLN . 3.1 pp20? -39.91 -45.37 1.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.417 ' N ' ' CD ' ' A' ' 62' ' ' GLU . 72.4 mt-30 -42.09 -53.27 4.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.402 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 5.7 m-20 -69.92 115.09 8.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.42 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 73.6 t -101.25 -59.32 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.147 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -58.27 -42.2 86.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 68' ' ' ASN . 15.4 ttpp -58.71 -66.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.436 ' OD1' HD13 ' A' ' 60' ' ' LEU . 6.3 m-80 -36.12 -42.79 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 65' ' ' VAL . 71.5 m-80 -72.13 -61.84 1.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -43.24 -40.58 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 32.7 tp -61.65 -68.64 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.83 -50.31 4.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -51.79 -35.29 43.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -82.73 -57.6 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.2 mm -51.37 -54.54 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -44.94 -66.59 0.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -57.55 -35.73 70.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -57.63 -47.02 83.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -108.02 -66.28 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 76' ' ' ALA . 32.6 mt -49.32 -41.58 38.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 97.45 -7.97 64.05 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.681 HG23 ' CD ' ' A' ' 108' ' ' GLN . 71.2 mt -70.25 111.85 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 111.117 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.8 p -68.13 131.62 92.08 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.705 0.764 . . . . 0.0 110.824 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 136.72 33.56 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.638 2.225 . . . . 0.0 112.33 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.9 pt -85.56 -24.44 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 75.2 mtm -141.18 163.8 31.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 88' ' ' GLY . 81.7 p -101.34 138.29 38.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -35.5 -41.66 0.38 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.46 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -62.64 -52.39 63.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.751 0.31 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -58.44 -32.49 68.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.7 tpt -71.9 -37.79 70.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.83 -26.41 40.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.075 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.2 t -83.13 -51.99 7.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.1 p -50.06 150.94 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.07 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -80.51 -36.18 24.01 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.458 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -165.48 131.67 2.09 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.619 0.723 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.41 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 53.1 Cg_endo -69.78 171.27 14.78 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.31 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -96.56 128.97 44.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.583 ' O ' HG23 ' A' ' 103' ' ' VAL . 10.9 tppt? -47.62 -47.71 28.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.3 mt -56.79 -72.15 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.1 p -41.73 -54.6 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.41 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 89.8 mmm -51.08 -62.49 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 99' ' ' LYS . 69.7 t -49.63 -56.44 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 59.7 mtm -50.26 -61.98 1.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -48.86 -61.51 2.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 108' ' ' GLN . 22.9 mt -46.78 -49.53 19.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.7 m -38.15 -28.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.681 ' CD ' HG23 ' A' ' 82' ' ' ILE . 48.8 mt-30 -63.65 -46.76 84.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 106' ' ' LEU . 50.8 m-85 -66.55 -43.17 85.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 114' ' ' LYS . 2.5 t80 -60.85 -61.83 2.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.949 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.458 ' HA ' ' CD ' ' A' ' 114' ' ' LYS . 15.9 mt-10 -52.9 -23.36 6.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 16.5 tpp -78.8 -26.7 44.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.44 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 21.1 m-85 -131.32 29.81 4.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.458 ' CD ' ' HA ' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -81.02 -42.3 21.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.403 ' N ' ' HG3' ' A' ' 114' ' ' LYS . 11.2 m-20 -62.83 -49.03 76.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.6 t -40.27 144.82 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.411 ' HA3' ' HD2' ' A' ' 118' ' ' PRO . . . 105.41 -145.82 15.98 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.411 ' HD2' ' HA3' ' A' ' 117' ' ' GLY . 54.0 Cg_endo -69.75 154.11 68.17 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.366 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.9 m -100.01 132.88 45.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 25.6 m -138.0 114.9 10.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t 53.09 42.24 32.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.936 0.398 . . . . 0.0 110.855 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.5 p -133.21 147.1 51.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.71 79.15 1.44 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.503 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.4 p -120.35 155.94 32.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.867 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 t -73.35 -55.65 6.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.04 55.06 8.31 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.1 t -56.6 -55.94 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 111.127 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.92 90.59 2.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.066 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 47.6 mtt85 -145.21 144.47 30.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.9 t -49.38 116.8 1.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -85.66 159.52 19.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -42.42 84.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.1 tp -67.56 -46.29 73.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 16' ' ' GLY . 53.7 tp -47.68 -64.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -35.15 -53.89 0.92 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.465 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -51.63 -55.22 20.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.749 0.309 . . . . 0.0 110.914 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.762 ' O ' HG23 ' A' ' 22' ' ' THR . 78.1 m -55.42 -36.95 67.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -71.42 -35.53 71.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -78.12 -30.91 49.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -84.7 -53.93 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.762 HG23 ' O ' ' A' ' 18' ' ' CYS . 30.8 p -60.53 -11.94 8.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.88 124.87 21.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.56 -31.13 4.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.491 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 60.7 m-85 -75.07 170.56 15.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.893 0.378 . . . . 0.0 110.887 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -111.59 127.06 55.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.128 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.01 -32.64 5.74 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.419 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.875 HG12 HG23 ' A' ' 30' ' ' VAL . 16.5 t -53.74 -68.48 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 111.124 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 28' ' ' VAL . 24.3 t30 34.49 46.03 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.875 HG23 HG12 ' A' ' 28' ' ' VAL . 51.6 t -44.42 106.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.421 HG23 ' CG ' ' A' ' 32' ' ' ASP . 8.9 t -106.56 -35.57 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.421 ' CG ' HG23 ' A' ' 31' ' ' THR . 9.0 m-20 -128.7 148.53 50.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.413 HD21 ' HA ' ' A' ' 15' ' ' LEU . 3.1 mt -85.77 40.66 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.3 p -131.38 -73.01 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 38' ' ' LYS . 8.3 ptp -78.54 -42.59 28.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.445 ' HB3' HG22 ' A' ' 30' ' ' VAL . 67.7 m -35.11 -33.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.701 ' CH2' HD22 ' A' ' 106' ' ' LEU . 37.1 m95 -95.84 -36.27 11.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 35' ' ' MET . 20.4 mtpp -35.5 -52.29 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.4 p -54.02 -58.64 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.37 -36.3 2.61 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.9 mt -44.81 -57.49 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.795 0.331 . . . . 0.0 110.938 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -41.43 -71.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.9 tp -42.26 -45.23 4.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 83.4 m -65.33 -32.02 73.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.491 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -75.59 -24.63 56.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.522 HD11 ' CG2' ' A' ' 22' ' ' THR . 30.4 mm -72.27 -55.64 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.44 HG12 HD11 ' A' ' 80' ' ' LEU . 52.5 mt -58.14 -44.97 88.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.436 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 19.3 t-80 -66.31 -46.1 78.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 48' ' ' HIS . 19.1 tpt180 -36.0 -44.8 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 113' ' ' PHE . 15.0 m-85 -96.75 -52.52 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.8 mmt-85 -120.86 95.65 48.88 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.576 0.703 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.436 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.77 -20.24 35.06 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.81 -51.2 63.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.576 ' CD1' HD21 ' A' ' 80' ' ' LEU . 37.2 mt -49.3 -56.49 9.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.429 HD11 HD23 ' A' ' 71' ' ' LEU . 8.5 tt -127.78 143.36 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -107.86 106.18 16.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.437 ' HA ' HD12 ' A' ' 60' ' ' LEU . 31.5 t80 -76.63 -31.3 57.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -65.96 -17.84 64.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -95.38 -41.5 8.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.452 HD21 ' CD2' ' A' ' 71' ' ' LEU . 32.1 mt -56.67 151.4 13.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.473 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 4.7 m-20 -116.29 131.01 57.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -46.98 -49.48 20.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' ' 64' ' ' ASN . 5.5 pt20 -46.43 -34.06 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.501 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 52.5 m-20 -74.39 109.74 8.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.413 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 56.1 t -100.47 -68.12 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -54.39 -36.47 63.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -66.04 -63.51 1.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 64' ' ' ASN . 4.9 m-80 -39.46 -30.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 65' ' ' VAL . 71.0 m-80 -83.4 -62.32 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.835 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -42.53 -34.75 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.452 ' CD2' HD21 ' A' ' 60' ' ' LEU . 43.8 tp -67.31 -66.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.3 -57.24 4.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.402 ' HD1' ' HH ' ' A' ' 105' ' ' TYR . 17.5 m-85 -45.42 -23.15 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -95.7 -60.19 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.2 mm -50.98 -48.71 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -46.55 -72.56 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -53.59 -45.81 70.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.411 ' HA ' ' NZ ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -42.75 -54.66 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -103.99 -64.08 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.576 HD21 ' CD1' ' A' ' 54' ' ' LEU . 16.3 mt -51.47 -50.0 60.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 106.65 -3.99 36.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.601 HG23 ' NE2' ' A' ' 108' ' ' GLN . 79.5 mt -71.91 101.53 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.809 0.338 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.8 t -64.48 131.84 95.2 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.64 0.733 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 149.39 66.86 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.4 pt -97.13 -26.46 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.3 mtm -135.67 -174.99 3.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 35.0 p -115.51 146.98 41.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -44.54 -45.24 8.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -66.08 -42.04 89.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.778 0.323 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -66.33 -25.74 66.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 17.2 tpp -78.45 -35.63 46.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -83.27 -19.87 35.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.05 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 t -87.92 -47.65 8.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.1 p -54.53 154.89 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.1 -43.97 7.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -156.25 133.44 6.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.663 0.744 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.434 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 54.0 Cg_endo -69.81 176.73 6.42 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.31 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 99' ' ' LYS . 46.2 t0 -98.79 114.46 27.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.421 ' O ' HG23 ' A' ' 103' ' ' VAL . 27.4 tptt -35.5 -50.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.8 mt -57.78 -74.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.8 t -38.24 -45.19 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.797 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.434 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 94.3 mmm -61.36 -62.89 1.5 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 99' ' ' LYS . 57.6 t -49.17 -50.58 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.421 ' O ' ' N ' ' A' ' 107' ' ' THR . 63.5 mtm -59.72 -73.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 104' ' ' MET . 55.8 t80 -37.13 -44.01 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.701 HD22 ' CH2' ' A' ' 37' ' ' TRP . 31.3 mt -65.49 -45.7 82.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.945 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 104' ' ' MET . 18.1 m -36.47 -45.99 0.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.601 ' NE2' HG23 ' A' ' 82' ' ' ILE . 44.4 mt-30 -46.32 -51.62 14.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.445 ' CE1' HG21 ' A' ' 82' ' ' ILE . 76.3 m-85 -59.84 -48.74 80.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 114' ' ' LYS . 2.9 t80 -57.64 -65.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.445 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 35.8 mt-10 -48.34 -28.87 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 20.1 tpp -74.18 -36.15 64.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.56 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 27.8 m-85 -112.57 18.17 18.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 110' ' ' TYR . 51.1 pttt -63.7 -44.93 92.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.43 ' N ' ' HG3' ' A' ' 114' ' ' LYS . 4.6 t0 -68.99 -60.98 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.868 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 52.2 m -51.34 121.56 6.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 153.61 157.26 8.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 124.47 11.12 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 0.0 112.35 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 21.9 t -76.43 95.21 3.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 121' ' ' GLY . 68.0 m -80.16 -52.6 7.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 120' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.1 t -99.73 42.52 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 m -80.73 142.85 33.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.838 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.55 116.95 0.43 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -75.62 -50.07 16.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.876 0.37 . . . . 0.0 110.84 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.6 p -64.86 175.95 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' HA3' ' CZ ' ' A' ' 10' ' ' ARG . . . -65.94 92.04 0.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.5 m -61.03 144.27 13.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.788 0.328 . . . . 0.0 111.154 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 46.22 42.97 10.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.445 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 19.2 tpp180 -58.13 133.44 55.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 63.2 m 63.65 44.04 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.7 m -45.61 142.47 2.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.14 -42.92 51.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.74 HD21 ' HB2' ' A' ' 106' ' ' LEU . 40.7 tp -53.02 -48.46 67.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.597 ' HB2' HD11 ' A' ' 33' ' ' LEU . 25.9 tp -47.52 -55.95 8.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.47 -58.28 4.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.45 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 51.4 t90 -42.13 -52.38 4.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.762 0.315 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 66.5 m -61.99 -52.27 64.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.474 HE21 HD11 ' A' ' 15' ' ' LEU . 35.7 mt-30 -47.8 -42.58 26.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -75.71 -49.16 19.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -59.75 -64.4 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.2 p -47.05 -44.39 20.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -37.94 128.44 1.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.87 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.61 -30.92 5.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -71.61 -177.83 2.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 0.0 110.912 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.07 121.38 43.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.52 25.64 70.28 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.481 ' O ' HG12 ' A' ' 28' ' ' VAL . 85.9 t -121.15 71.72 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.849 0.357 . . . . 0.0 111.115 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 29' ' ' ASN . 38.5 t-20 -104.33 90.85 3.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.27 105.24 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.9 p -106.42 -37.17 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -117.18 -175.01 2.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.597 HD11 ' HB2' ' A' ' 15' ' ' LEU . 49.5 mt -121.86 20.3 10.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.2 p -130.41 -72.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 95.6 mtp -69.92 -38.67 76.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.8 t -44.29 -35.4 2.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.414 ' CH2' HD22 ' A' ' 106' ' ' LEU . 48.4 m95 -93.57 -33.05 13.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.97 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -39.4 -37.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.7 t -60.72 -58.89 6.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.22 -36.36 2.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.61 HD21 ' HA ' ' A' ' 62' ' ' GLU . 94.8 mt -47.27 -65.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.948 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -37.79 -69.71 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 tp -40.26 -43.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 79.9 m -67.33 -40.17 85.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -64.47 -29.25 70.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.06 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.3 mm -64.66 -54.33 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.547 HG12 HD11 ' A' ' 80' ' ' LEU . 34.7 mt -62.26 -46.53 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 15.6 t-80 -65.45 -40.77 93.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.825 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.2 tpt85 -39.75 -42.63 1.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -102.69 -50.53 3.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.4 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 46.5 mmt-85 -120.58 95.76 48.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.589 0.709 . . . . 0.0 110.85 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.552 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.7 -27.7 26.46 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.695 2.263 . . . . 0.0 112.398 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -55.28 36.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 29.2 mt -43.93 -62.65 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.9 tt -115.08 132.25 64.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -99.19 90.87 4.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.601 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 14.3 t80 -66.2 -30.71 71.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.14 -38.76 80.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.9 t -74.22 -44.25 53.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.547 HD21 ' CD2' ' A' ' 71' ' ' LEU . 90.7 mt -53.63 166.9 0.27 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -132.83 140.88 48.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.61 ' HA ' HD21 ' A' ' 41' ' ' LEU . 11.0 pt-20 -54.53 -44.01 72.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -56.36 -43.58 79.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -64.34 111.99 2.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.1 t -101.38 -65.14 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -51.94 -27.92 14.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.7 OUTLIER -76.4 -67.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 67' ' ' LYS . 3.7 m-80 -35.43 -32.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 67' ' ' LYS . 80.8 m-20 -83.58 -60.31 2.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -44.16 -39.56 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.547 ' CD2' HD21 ' A' ' 60' ' ' LEU . 25.1 tp -62.73 -67.45 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.4 -58.67 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -43.79 -26.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -93.61 -58.92 2.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.807 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.4 mm -50.58 -50.31 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -46.45 -72.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -54.04 -39.73 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -50.21 -49.42 52.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -109.58 -65.81 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.547 HD11 HG12 ' A' ' 47' ' ' ILE . 42.5 mt -47.45 -48.12 26.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 105.53 -5.45 40.79 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.494 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.64 HG23 ' NE2' ' A' ' 108' ' ' GLN . 58.6 mt -74.48 103.22 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.812 0.339 . . . . 0.0 111.145 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.9 p -62.24 132.7 94.06 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.685 0.755 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 131.53 21.38 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 2.268 . . . . 0.0 112.365 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 28.4 pt -76.62 -21.45 14.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 68.9 mtm -148.84 168.75 22.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 90' ' ' GLU . 28.8 p -100.72 141.34 33.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.136 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -37.12 -44.89 1.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.524 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -61.45 -40.22 93.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.742 0.306 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 87' ' ' THR . 27.9 mm-40 -67.77 -29.25 68.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.2 ttt -77.95 -23.32 48.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -88.91 -24.23 22.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.3 t -87.78 -46.8 9.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.8 p -56.57 150.93 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -82.41 -34.99 21.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.445 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -163.46 134.78 3.65 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.598 0.713 . . . . 0.0 110.932 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 157.16 61.35 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.701 2.267 . . . . 0.0 112.374 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 99' ' ' LYS . 24.2 t0 -81.08 114.4 19.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 98' ' ' ASP . 18.9 tptm -33.98 -73.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 99' ' ' LYS . 50.3 mt -37.46 -54.74 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.0 m -55.24 -41.89 72.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.574 ' HE3' HD11 ' A' ' 106' ' ' LEU . 90.4 mmm -66.3 -61.29 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 85.3 t -47.98 -54.42 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 64.0 mtm -56.28 -71.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -40.74 -47.58 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.74 ' HB2' HD21 ' A' ' 14' ' ' LEU . 71.1 mt -62.38 -39.74 94.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 39.6 m -47.43 -32.99 5.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.64 ' NE2' HG23 ' A' ' 82' ' ' ILE . 41.3 mt-30 -58.52 -43.87 89.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -70.11 -43.06 71.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 114' ' ' LYS . 1.8 t80 -63.88 -63.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.474 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 9.6 mm-40 -45.27 -37.43 4.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 12.5 ttp -72.51 -41.2 66.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -105.65 28.44 7.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 110' ' ' TYR . 14.4 pttp -82.61 -40.88 20.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 116' ' ' SER . 1.1 p-10 -83.43 -46.08 12.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 115' ' ' ASP . 48.2 t -37.88 -42.09 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -69.25 161.76 52.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -8.12 22.79 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.701 2.267 . . . . 0.0 112.322 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.5 t -144.31 141.8 30.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 77.4 p -97.2 174.08 6.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 -179.974 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 p -126.04 171.58 10.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.921 0.391 . . . . 0.0 110.839 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.7 m -142.36 140.91 32.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.52 144.89 15.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 m -49.62 123.21 7.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.937 0.398 . . . . 0.0 110.811 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 m -50.1 177.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.77 89.99 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.6 m -65.68 150.87 10.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 111.157 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.69 130.83 46.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -71.68 173.68 7.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.493 ' HA ' HD23 ' A' ' 15' ' ' LEU . 2.3 m -74.71 91.08 2.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.9 t -82.71 146.36 29.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt -45.09 -50.5 11.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.598 HD21 ' HB2' ' A' ' 106' ' ' LEU . 44.8 tp -58.65 -49.36 77.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 11' ' ' SER . 41.2 tp -44.87 -59.49 2.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -40.39 -53.15 3.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.512 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 57.2 t90 -51.97 -56.08 16.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.765 0.317 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.4 m -56.44 -49.94 73.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -51.67 -40.52 60.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.1 mmt-85 -73.88 -51.92 14.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -61.66 -63.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.473 HG21 HG21 ' A' ' 30' ' ' VAL . 82.0 p -46.98 -38.39 10.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 22' ' ' THR . 18.2 t70 -36.91 130.96 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.51 -39.3 2.61 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.458 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -70.03 174.88 4.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.896 0.379 . . . . 0.0 110.925 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.88 137.57 51.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.116 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.15 -38.15 3.08 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.71 HG12 HG23 ' A' ' 30' ' ' VAL . 84.2 t -50.35 -67.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.629 ' O ' HG23 ' A' ' 31' ' ' THR . 9.9 t-20 33.84 51.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.71 HG23 HG12 ' A' ' 28' ' ' VAL . 84.5 t -44.08 109.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 29' ' ' ASN . 70.0 p -106.51 -38.63 6.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -126.22 -175.13 3.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.521 HD23 ' HE1' ' A' ' 37' ' ' TRP . 69.2 mt -121.31 27.21 8.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.2 p -125.02 -66.1 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 37' ' ' TRP . 12.2 ptp -88.44 -41.94 12.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' MET . 5.4 p -37.47 -30.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.521 ' HE1' HD23 ' A' ' 33' ' ' LEU . 60.9 m95 -98.77 -34.58 10.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 37' ' ' TRP . 5.5 mtpm? -34.33 -44.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.615 ' HA ' HG13 ' A' ' 65' ' ' VAL . 36.1 p -57.54 -59.6 4.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.07 -42.09 1.47 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.466 HD21 ' HA ' ' A' ' 62' ' ' GLU . 38.3 mt -42.45 -49.1 5.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.354 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.88 -57.85 8.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 tp -57.23 -47.91 80.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.5 m -60.2 -35.01 74.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.26 -32.09 73.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.058 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 37.1 mm -65.86 -51.19 64.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.4 mt -63.14 -44.1 99.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.522 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 9.5 t-80 -66.8 -49.51 65.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' HIS . 14.8 tpt180 -34.03 -52.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.412 ' CE2' ' HB3' ' A' ' 113' ' ' PHE . 7.6 m-85 -87.6 -46.71 9.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 44.7 mmt-85 -129.83 96.75 25.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.563 0.697 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.522 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.81 -33.67 15.95 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.66 -57.69 9.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 35.7 mt -42.57 -61.53 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.4 tt -121.84 133.4 68.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -98.4 103.73 15.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -72.65 -55.21 7.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -43.68 -41.28 4.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.7 m -67.11 -48.81 67.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.688 HD13 ' OD1' ' A' ' 68' ' ' ASN . 83.9 mt -52.73 156.11 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.445 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 3.7 m-20 -116.8 139.4 50.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.466 ' HA ' HD21 ' A' ' 41' ' ' LEU . 7.1 pt-20 -55.59 -36.92 67.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -57.65 -46.28 84.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.445 ' ND2' ' HB2' ' A' ' 61' ' ' ASP . 60.0 m-20 -66.72 113.0 4.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.615 HG13 ' HA ' ' A' ' 39' ' ' SER . 96.8 t -101.04 -63.36 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -56.14 -38.39 70.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -60.98 -62.33 1.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.688 ' OD1' HD13 ' A' ' 60' ' ' LEU . 8.7 m-80 -43.18 -45.0 5.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -68.47 -59.74 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -43.78 -47.29 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.0 tp -59.53 -68.47 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.24 -56.52 5.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.067 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -44.39 -34.47 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -84.82 -60.96 1.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.3 mm -47.47 -54.27 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -41.73 -69.09 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.083 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.431 ' HA ' ' C ' ' A' ' 81' ' ' GLY . 15.8 tt0 -56.78 -40.25 75.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -51.1 -50.01 59.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -106.01 -65.19 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 76' ' ' ALA . 34.4 mt -52.19 -40.19 61.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.431 ' C ' ' HA ' ' A' ' 77' ' ' GLU . . . 102.04 -19.54 48.81 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.537 HD13 ' CD1' ' A' ' 109' ' ' PHE . 73.5 mt -60.94 100.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 111.103 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.8 t -63.24 132.06 94.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.673 0.749 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 127.38 14.51 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 86' ' ' MET . 28.1 pt -65.95 -30.83 51.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.423 ' N ' HG13 ' A' ' 85' ' ' ILE . 6.3 ptp -152.69 159.0 43.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 70.2 p -80.74 150.87 29.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -48.38 -44.52 28.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.524 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.76 -58.13 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.311 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -54.82 -41.47 70.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.7 tpp -57.72 -32.6 67.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.0 -38.37 36.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.6 m -70.04 -54.98 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 94' ' ' VAL . 7.8 p -50.56 130.39 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.88 -47.8 87.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.541 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -149.95 134.31 9.22 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.651 0.739 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 172.36 12.82 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.308 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 99' ' ' LYS . 29.9 t0 -94.99 114.98 26.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.434 ' O ' HG23 ' A' ' 103' ' ' VAL . 18.8 tptm -35.12 -50.01 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 15.4 mt -55.25 -65.93 0.5 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 t -46.16 -45.64 16.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 89.8 mmm -60.43 -62.86 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 99' ' ' LYS . 96.3 t -51.19 -57.33 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 41.2 mtm -51.05 -58.8 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -49.6 -61.95 1.83 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.598 ' HB2' HD21 ' A' ' 14' ' ' LEU . 96.8 mt -49.13 -50.22 38.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 106' ' ' LEU . 35.2 m -33.04 -52.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.419 ' CD ' HG23 ' A' ' 82' ' ' ILE . 54.3 mt-30 -39.98 -58.93 1.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.537 ' CD1' HD13 ' A' ' 82' ' ' ILE . 79.2 m-85 -52.61 -48.44 66.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.516 ' CD1' ' N ' ' A' ' 111' ' ' GLU . 0.8 OUTLIER -56.98 -58.63 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.867 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.516 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 33.9 mt-10 -50.81 -37.9 45.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 19.7 ttp -71.71 -43.38 66.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.412 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 19.9 m-85 -105.93 35.9 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 110' ' ' TYR . 16.9 pttp -83.97 -43.86 14.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -70.6 -48.69 53.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.3 m -53.91 106.55 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -123.9 169.05 16.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -175.21 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.601 2.2 . . . . 0.0 112.366 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.1 t -112.55 140.73 47.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 31.8 p -61.23 -48.38 81.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.483 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -70.23 93.57 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.889 0.376 . . . . 0.0 110.886 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.9 p -109.18 127.42 54.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.96 174.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.518 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.4 p -75.92 150.92 37.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 110.894 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.4 m -142.21 159.52 42.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.8 83.32 0.33 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.7 t -59.24 105.51 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 111.167 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.23 123.14 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -67.45 103.25 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.565 ' HA ' HD23 ' A' ' 15' ' ' LEU . 36.8 m -59.4 115.7 3.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 13' ' ' LYS . 16.0 m -74.59 139.06 43.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 12' ' ' SER . 40.9 tptt -34.43 -55.49 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.518 HD21 ' HB2' ' A' ' 106' ' ' LEU . 13.4 tp -55.47 -56.08 24.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.723 ' HB2' HD11 ' A' ' 33' ' ' LEU . 17.9 tp -43.69 -59.59 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -36.59 -49.05 1.31 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.451 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 37.1 t90 -52.2 -52.71 50.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.717 0.294 . . . . 0.0 110.912 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 73.4 m -58.88 -54.68 44.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -48.68 -38.09 20.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -76.11 -47.97 22.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -66.59 -64.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.4 p -44.2 -34.4 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -39.9 120.71 1.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.15 -33.68 2.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.473 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -77.32 148.55 35.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.901 0.381 . . . . 0.0 110.936 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.86 126.69 36.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.35 -20.97 27.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.695 ' O ' HG12 ' A' ' 28' ' ' VAL . 97.8 t -82.63 60.86 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 111.102 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.424 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 11.3 p-10 -87.28 89.33 7.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.9 t -74.48 98.64 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.581 HG23 ' OD2' ' A' ' 32' ' ' ASP . 7.8 t -105.55 -20.69 13.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.581 ' OD2' HG23 ' A' ' 31' ' ' THR . 0.5 OUTLIER -145.54 144.46 30.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 15' ' ' LEU . 85.5 mt -84.0 39.85 0.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.2 p -134.8 -63.36 0.7 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.436 ' O ' ' N ' ' A' ' 38' ' ' LYS . 6.4 mtt -85.63 -40.82 15.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.3 m -42.87 -25.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.569 ' HE1' HD23 ' A' ' 33' ' ' LEU . 57.7 m95 -102.79 -26.74 13.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 35' ' ' MET . 6.2 mtpm? -47.32 -39.74 15.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.8 p -65.89 -40.82 91.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.16 -34.83 5.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.48 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 97.3 mt -43.41 -62.78 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -35.58 -71.27 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 43' ' ' LEU . 12.7 tp -43.7 -41.33 4.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 44.5 m -66.7 -36.13 81.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.92 -25.78 61.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.052 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.1 mm -67.47 -52.43 41.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.63 HG12 HD11 ' A' ' 80' ' ' LEU . 85.5 mt -64.77 -43.77 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.526 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 26.9 t-80 -63.31 -44.76 94.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.8 tpt85 -37.93 -51.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -90.57 -52.35 4.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.482 ' HD2' HD11 ' A' ' 54' ' ' LEU . 39.6 mtt-85 -120.73 95.79 48.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.526 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.78 -18.14 37.09 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.316 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -70.03 -55.84 8.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.648 HD22 ' HG3' ' A' ' 79' ' ' GLU . 29.1 mt -41.99 -57.93 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.7 tt -121.41 147.89 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -111.49 105.52 14.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.48 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 35.2 t80 -78.39 -47.44 17.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -48.1 -37.91 16.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 t -74.94 -50.68 15.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.521 HD13 ' OD1' ' A' ' 68' ' ' ASN . 43.7 mt -49.95 169.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -140.13 154.41 46.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -70.9 -37.78 72.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -55.33 -31.4 61.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -89.6 114.99 26.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 87.2 t -101.04 -68.51 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -45.18 -34.9 2.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 68' ' ' ASN . 5.9 mptt -66.36 -75.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.521 ' OD1' HD13 ' A' ' 60' ' ' LEU . 13.3 m-80 -34.88 -45.07 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -62.88 -61.94 2.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -45.7 -42.66 11.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.5 tp -58.35 -69.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.03 -56.84 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -46.0 -25.39 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -94.22 -61.46 1.52 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.2 mm -48.4 -48.45 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.104 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -47.64 -71.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -51.96 -36.68 50.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -58.07 -47.31 83.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.648 ' HG3' HD22 ' A' ' 54' ' ' LEU . 34.9 mm-40 -107.63 -70.17 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.63 HD11 HG12 ' A' ' 47' ' ' ILE . 20.5 mt -47.68 -32.18 5.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.3 8.79 84.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.487 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.535 HG23 ' CD ' ' A' ' 108' ' ' GLN . 87.7 mt -86.82 111.43 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.872 0.368 . . . . 0.0 111.124 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.8 m -67.04 130.63 93.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.636 0.731 . . . . 0.0 110.848 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 137.32 35.06 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.654 2.236 . . . . 0.0 112.371 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.42 HD13 ' HB2' ' A' ' 105' ' ' TYR . 15.9 pt -86.69 -23.88 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 58.9 mtm -137.15 169.35 17.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 39.6 p -110.77 146.38 36.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.44 -47.24 3.69 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.5 -58.88 6.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -52.62 -31.64 37.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 3.5 tpp -69.82 -42.64 73.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.52 -17.06 60.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 m -87.14 -45.56 10.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.478 HG22 ' H ' ' A' ' 96' ' ' GLU . 9.9 p -61.98 141.51 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.112 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.3 -29.91 59.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.478 ' H ' HG22 ' A' ' 94' ' ' VAL . 31.1 tt0 -169.48 130.52 1.01 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.898 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.469 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 53.8 Cg_endo -69.73 164.38 34.72 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.377 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -90.34 129.79 36.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.829 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -45.98 -60.61 2.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 61.3 mt -47.78 -66.47 0.4 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.4 m -44.08 -55.75 4.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.469 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 87.3 mmm -52.15 -63.8 1.02 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.9 t -46.15 -51.81 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 17.4 mtt -52.96 -56.26 17.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.42 ' HB2' HD13 ' A' ' 85' ' ' ILE . 29.1 t80 -57.01 -58.84 6.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.518 ' HB2' HD21 ' A' ' 14' ' ' LEU . 21.8 mt -47.6 -48.99 28.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 106' ' ' LEU . 99.2 m -34.06 -49.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.535 ' CD ' HG23 ' A' ' 82' ' ' ILE . 53.7 mt-30 -47.78 -46.58 30.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 106' ' ' LEU . 65.9 m-85 -65.1 -32.01 73.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.519 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 1.6 t80 -75.71 -63.89 1.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.519 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 45.5 mt-10 -46.39 -25.05 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 47.0 tpp -76.48 -35.85 58.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.451 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 29.8 m-85 -123.49 29.69 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 110' ' ' TYR . 44.7 pttt -79.93 -36.86 35.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 114' ' ' LYS . 1.2 m-20 -74.29 -40.77 62.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.3 p -37.64 122.92 0.98 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -125.88 -157.9 9.76 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 143.97 52.98 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.261 . . . . 0.0 112.385 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 69.4 p -95.22 -56.22 2.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.5 m -85.83 171.23 11.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -96.42 172.62 7.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.367 . . . . 0.0 110.871 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.3 p -56.95 101.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.9 -147.19 50.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 p -131.95 133.88 45.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.904 0.383 . . . . 0.0 110.857 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -60.75 -61.13 2.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.64 -127.05 4.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.471 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 8' ' ' VAL . 34.3 m -76.15 127.0 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.854 0.359 . . . . 0.0 111.14 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.18 139.1 58.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 11' ' ' SER . 55.4 mtp85 -59.4 179.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 10' ' ' ARG . 30.0 p -36.69 120.44 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.5 t -69.08 150.69 47.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.802 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.38 -53.73 16.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.946 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.503 HD21 ' CB ' ' A' ' 106' ' ' LEU . 13.7 tp -60.38 -46.54 89.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 16' ' ' GLY . 23.7 tp -46.47 -63.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -34.35 -55.48 0.75 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.492 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.517 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 53.7 t90 -47.41 -55.79 8.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.764 0.316 . . . . 0.0 110.931 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 81.4 m -57.49 -50.03 74.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -49.28 -38.7 28.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -78.83 -49.76 12.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -60.38 -62.48 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' ASP . 66.6 p -48.94 -43.66 39.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' THR . 7.2 t70 -36.71 133.48 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.02 -37.56 3.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -61.54 -178.62 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.913 0.387 . . . . 0.0 110.91 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.19 109.24 18.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.46 21.97 57.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.503 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.6 t -115.88 72.83 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 111.156 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -98.18 111.31 23.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.8 t -89.99 111.7 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.4 p -111.71 -39.04 4.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 36' ' ' SER . 5.4 m-20 -142.96 139.71 30.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.7 mt -75.67 48.26 0.45 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.2 p -135.03 -72.49 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' LYS . 32.0 mtp -84.98 -46.58 11.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 35' ' ' MET . 12.9 t -35.87 -33.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.527 ' CH2' HD22 ' A' ' 106' ' ' LEU . 48.6 m95 -93.91 -37.92 11.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.949 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 35' ' ' MET . 5.0 mtpm? -34.4 -40.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.3 p -60.38 -54.29 47.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.26 -39.79 2.21 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.524 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.481 HD11 ' HA ' ' A' ' 62' ' ' GLU . 97.7 mt -44.5 -65.23 0.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -39.27 -54.7 1.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.7 tp -56.56 -41.02 76.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 72.7 m -67.43 -34.73 77.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.24 -27.83 67.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.4 mm -65.64 -63.3 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.408 HG12 HD11 ' A' ' 80' ' ' LEU . 67.1 mt -57.51 -42.72 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 49' ' ' ARG . 33.2 t-80 -62.4 -49.69 74.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 48' ' ' HIS . 10.4 ttt85 -34.73 -59.88 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 113' ' ' PHE . 24.0 m-85 -78.86 -52.47 8.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 25.1 mtt-85 -123.82 96.25 43.21 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.602 0.715 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 53.3 Cg_endo -69.76 -27.23 26.73 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -59.34 -56.86 16.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 24.0 mt -40.4 -62.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.8 tt -115.77 132.6 64.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -93.96 96.73 9.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -70.96 -44.52 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.71 -34.46 52.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.2 m -74.8 -46.44 36.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.797 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.647 HD13 ' OD1' ' A' ' 68' ' ' ASN . 88.6 mt -53.93 166.33 0.37 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -138.08 147.24 43.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.481 ' HA ' HD11 ' A' ' 41' ' ' LEU . 11.3 pt-20 -56.81 -43.3 80.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.459 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 14.4 pt20 -56.83 -28.47 61.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -80.98 115.44 20.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.9 t -106.85 -67.4 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -50.98 -37.1 42.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 68' ' ' ASN . 46.4 tttt -66.2 -69.17 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.647 ' OD1' HD13 ' A' ' 60' ' ' LEU . 11.3 m-80 -34.89 -44.15 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -74.48 -58.21 3.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -43.07 -44.8 5.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.73 -68.04 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -40.5 -57.41 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -45.56 -34.24 3.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -86.15 -61.72 1.68 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.6 mm -45.1 -51.75 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -45.78 -73.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.073 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -46.23 59.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -44.0 -56.49 3.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -100.4 -64.61 1.03 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 76' ' ' ALA . 19.7 mt -50.6 -58.29 6.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 113.87 0.22 24.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.773 HG23 ' CD ' ' A' ' 108' ' ' GLN . 66.2 mt -78.56 98.4 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.843 0.354 . . . . 0.0 111.115 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.3 p -59.12 132.28 87.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.721 0.772 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.37 53.82 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.707 2.271 . . . . 0.0 112.345 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.6 pt -90.67 -22.62 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 67.9 mtm -144.83 168.33 20.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 88' ' ' GLY . 2.4 p -102.25 141.67 34.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.08 -50.74 1.21 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -55.54 -44.57 76.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 87' ' ' THR . 4.8 mm-40 -64.86 -35.92 82.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.456 ' O ' HG12 ' A' ' 94' ' ' VAL . 9.6 tpp -66.02 -48.74 70.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.63 -31.93 70.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.6 m -74.11 -55.39 6.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 91' ' ' MET . 7.4 p -49.83 149.54 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -79.67 -40.62 14.59 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -160.9 132.33 3.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 110.872 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 176.02 7.37 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.695 2.264 . . . . 0.0 112.316 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -101.94 124.99 48.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -39.35 -67.5 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 54.5 mt -42.53 -64.75 0.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 m -44.32 -55.99 4.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.811 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 93.0 mmm -52.95 -63.91 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 72.7 t -46.74 -64.13 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.177 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 9.4 mtm -42.66 -54.62 3.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -57.68 -66.61 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.527 HD22 ' CH2' ' A' ' 37' ' ' TRP . 61.1 mt -40.52 -50.01 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 106' ' ' LEU . 92.2 m -34.03 -57.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.773 ' CD ' HG23 ' A' ' 82' ' ' ILE . 63.1 mt-30 -34.9 -47.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -65.47 -50.27 65.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' A' ' 111' ' ' GLU . 1.0 OUTLIER -58.92 -62.57 1.78 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.84 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.563 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 7.9 mm-40 -44.63 -22.42 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.6 ttp -91.2 -31.01 16.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.517 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 24.2 m-85 -115.88 31.36 6.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -87.84 -40.49 13.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 115' ' ' ASP . 31.9 p30 -133.93 37.83 3.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.0 t -46.25 -40.12 11.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -111.23 -152.63 12.49 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 147.15 62.21 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.7 m -147.99 155.23 41.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 75.1 m -47.67 170.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.524 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -164.3 140.31 6.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 0.0 110.863 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 m -116.05 166.95 11.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.47 171.23 32.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.441 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 6' ' ' SER . 75.5 m -70.1 159.71 33.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.871 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 5' ' ' SER . 14.9 t -37.97 -49.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.91 158.07 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.04 145.3 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 111.102 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 42.27 45.57 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.424 ' NH1' ' HB2' ' A' ' 10' ' ' ARG . 1.1 ptm85 -116.06 175.9 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.5 p -45.19 113.46 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -82.7 139.92 33.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -37.8 -47.6 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.48 HD21 ' HB2' ' A' ' 106' ' ' LEU . 23.8 tp -61.87 -51.99 65.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.534 HD11 HE21 ' A' ' 19' ' ' GLN . 20.0 tp -43.75 -56.38 3.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -37.97 -60.27 1.31 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.458 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.546 ' CE2' ' HG3' ' A' ' 21' ' ' GLN . 6.0 t90 -46.2 -71.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.73 ' O ' HG23 ' A' ' 22' ' ' THR . 84.4 m -33.9 -46.55 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.534 HE21 HD11 ' A' ' 15' ' ' LEU . 22.8 mt-30 -64.53 -49.49 71.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' TRP . 35.0 mtt85 -60.55 -47.9 84.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.579 ' N ' ' CD ' ' A' ' 21' ' ' GLN . 1.2 mm100 -66.5 -58.58 4.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 18' ' ' CYS . 59.1 p -51.52 -45.39 62.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 22' ' ' THR . 6.9 t70 -35.18 120.54 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.48 -33.42 3.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -65.54 -175.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.388 . . . . 0.0 110.92 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.21 108.23 14.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.066 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.82 19.5 59.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.521 ' O ' HG12 ' A' ' 28' ' ' VAL . 60.9 t -114.45 64.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.865 0.364 . . . . 0.0 111.177 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -89.15 110.42 21.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 81.2 t -89.16 108.38 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.5 p -119.65 -22.63 6.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -135.34 170.51 15.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.435 HD21 ' CD1' ' A' ' 15' ' ' LEU . 78.4 mt -116.12 28.77 8.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.9 p -132.08 -59.34 0.94 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.47 ' O ' ' N ' ' A' ' 37' ' ' TRP . 8.3 mmt -87.04 -48.67 7.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.8 t -40.14 -25.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.47 ' N ' ' O ' ' A' ' 35' ' ' MET . 69.7 m95 -100.45 -33.77 10.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 35' ' ' MET . 3.2 mtpt -38.23 -35.74 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.401 ' HA ' HG13 ' A' ' 65' ' ' VAL . 16.4 p -65.11 -54.81 24.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.816 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.33 -40.71 2.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 42' ' ' ALA . 92.6 mt -39.3 -66.87 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -33.79 -67.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.059 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.5 tp -44.06 -39.78 4.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' LEU . 27.1 m -69.41 -39.18 78.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.44 -27.47 69.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.5 mm -66.21 -62.51 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.434 HG23 HD12 ' A' ' 54' ' ' LEU . 80.6 mt -54.37 -45.27 68.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 49' ' ' ARG . 43.1 t-80 -66.67 -47.18 73.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 48' ' ' HIS . 26.7 tpt85 -34.28 -48.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -98.68 -48.04 5.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.404 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 17.8 mtt85 -120.56 96.05 48.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.652 0.739 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 53.8 Cg_endo -69.79 -29.92 22.97 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.324 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' LEU . 8.3 t70 -56.27 -64.25 0.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.434 HD12 HG23 ' A' ' 47' ' ' ILE . 12.7 mt -37.07 -62.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.412 ' O ' HG23 ' A' ' 55' ' ' ILE . 5.9 tt -116.72 129.47 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -99.04 97.32 8.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.425 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 32.2 t80 -65.41 -38.22 89.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -45.15 -45.66 11.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -70.0 -53.56 17.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.791 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 75.4 mt -51.84 154.28 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -127.91 179.62 5.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -85.03 -24.58 28.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -72.94 -28.46 62.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.474 ' HB2' ' ND2' ' A' ' 68' ' ' ASN . 81.2 m-20 -79.25 115.43 18.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.401 HG13 ' HA ' ' A' ' 39' ' ' SER . 47.3 t -105.13 -64.3 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -56.57 -42.42 78.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -61.3 -62.33 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.474 ' ND2' ' HB2' ' A' ' 64' ' ' ASN . 4.6 m-80 -41.42 -30.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -85.46 -64.14 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -39.97 -40.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.7 tp -64.86 -67.81 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.15 -52.29 7.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -51.92 -30.65 25.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -87.89 -64.03 1.21 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 16.5 mm -45.09 -49.94 2.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -44.55 -73.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -53.69 -43.15 68.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -45.04 -52.65 8.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -106.38 -63.34 1.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 76' ' ' ALA . 33.5 mt -51.05 -51.87 48.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.89 -7.39 29.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.668 HG23 ' OE1' ' A' ' 108' ' ' GLN . 89.5 mt -73.62 103.6 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.337 . . . . 0.0 111.115 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.6 m -66.72 131.43 94.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.652 0.739 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 131.61 21.56 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.706 2.27 . . . . 0.0 112.33 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.4 pt -75.18 -22.49 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 7.2 ptp -146.21 167.16 24.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 90' ' ' GLU . 71.9 p -100.5 139.11 36.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.51 -38.09 0.25 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -64.26 -44.8 90.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.739 0.304 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 87' ' ' THR . 5.6 mm-40 -65.77 -21.0 66.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.7 tpp -85.31 -29.83 24.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.53 -38.11 35.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.8 t -74.27 -55.39 6.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.4 p -50.41 135.04 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.5 -41.43 99.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.455 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -160.87 138.3 6.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.623 0.725 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -171.9 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.718 2.278 . . . . 0.0 112.352 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.85 122.37 47.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.632 ' O ' HG23 ' A' ' 103' ' ' VAL . 2.4 tmmm? -40.69 -54.38 2.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.8 mt -54.37 -73.5 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.6 m -39.32 -52.13 2.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 87.9 mmm -53.77 -62.29 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 99' ' ' LYS . 91.2 t -50.32 -53.13 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 75.9 mtp -51.72 -62.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -46.92 -62.65 1.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.48 ' HB2' HD21 ' A' ' 14' ' ' LEU . 17.5 mt -45.57 -48.04 14.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.961 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 106' ' ' LEU . 19.1 m -34.86 -39.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.668 ' OE1' HG23 ' A' ' 82' ' ' ILE . 70.2 mt-30 -52.75 -51.81 59.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -61.64 -58.64 7.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.534 ' HA ' ' CZ3' ' A' ' 17' ' ' TRP . 3.2 t80 -45.32 -62.7 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.945 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -54.37 -19.23 5.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 9.9 tpp -78.32 -33.99 48.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -126.34 31.91 5.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -81.56 -30.36 33.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -81.9 -56.76 3.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.0 m -40.06 -48.18 2.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -57.63 158.03 14.27 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -179.54 2.98 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.356 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 30.1 p -128.29 -48.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.2 m -126.57 95.69 4.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.81 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.489 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -58.78 -59.69 5.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.878 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.8 p -87.41 -53.03 5.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.71 81.65 0.15 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -80.83 -57.02 3.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.894 0.378 . . . . 0.0 110.872 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 7' ' ' GLY . 20.0 m -73.31 -46.31 50.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.817 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.86 -105.22 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.46 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.588 ' O ' HG13 ' A' ' 8' ' ' VAL . 6.9 p -95.48 81.74 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.849 0.356 . . . . 0.0 111.154 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.37 -65.05 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -146.16 171.78 14.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 m -80.74 86.19 5.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.1 t -56.49 137.19 53.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.05 -43.29 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.1 tp -58.72 -55.43 35.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.769 ' HB2' HD11 ' A' ' 33' ' ' LEU . 14.5 tp -39.56 -55.2 1.88 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.32 -60.82 3.92 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 37.7 t90 -37.53 -49.51 1.07 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.777 0.322 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.3 m -63.66 -43.55 96.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -58.26 -42.58 86.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -75.23 -44.33 46.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -63.82 -60.81 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 23' ' ' ASP . 79.8 p -53.92 -37.66 64.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 22' ' ' THR . 28.1 t70 -34.15 112.66 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.77 -35.13 1.81 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.453 ' HB3' ' CG2' ' A' ' 28' ' ' VAL . 44.7 m-85 -82.77 164.57 20.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.908 0.385 . . . . 0.0 110.885 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.7 122.39 33.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.13 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.406 ' O ' ' OD1' ' A' ' 29' ' ' ASN . . . 81.44 -34.36 2.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.523 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.473 ' O ' ' C ' ' A' ' 29' ' ' ASN . 91.6 t -48.81 -23.81 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.362 . . . . 0.0 111.153 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.473 ' C ' ' O ' ' A' ' 28' ' ' VAL . 8.2 p-10 -31.62 98.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.1 t -69.33 125.26 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 34.6 p -115.65 -39.38 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.18 -175.86 3.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 15' ' ' LEU . 29.4 mt -126.56 29.38 5.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -133.83 -56.9 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.3 mtp -92.03 -35.22 14.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.8 p -44.03 -33.55 1.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.459 ' O ' ' C ' ' A' ' 38' ' ' LYS . 50.2 m95 -94.45 -36.26 11.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 37' ' ' TRP . 5.3 mtpm? -33.52 -38.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.466 ' HA ' HG13 ' A' ' 65' ' ' VAL . 20.4 p -64.59 -60.52 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.41 -41.7 1.52 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.4 mt -40.18 -57.65 1.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.15 -67.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.445 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 48.6 tp -45.24 -42.31 9.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 60.4 m -64.36 -41.96 96.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.61 -29.29 70.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.6 mm -64.18 -50.36 77.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.667 HG12 HD11 ' A' ' 80' ' ' LEU . 67.3 mt -68.93 -39.74 80.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.577 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 7.3 t-80 -66.35 -53.86 31.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.818 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 48' ' ' HIS . 21.3 tpp180 -33.34 -51.5 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 113' ' ' PHE . 10.8 m-85 -86.79 -50.93 6.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -127.07 96.23 34.85 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.581 0.705 . . . . 0.0 110.851 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.577 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.72 -37.74 8.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.363 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.475 ' CG ' ' N ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -50.41 -50.88 50.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.475 ' N ' ' CG ' ' A' ' 53' ' ' ASP . 47.1 mt -48.44 -67.29 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.5 tt -112.4 134.46 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -100.6 106.93 18.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -71.83 -51.8 20.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.415 ' C ' ' OD1' ' A' ' 58' ' ' ASP . 20.1 t0 -47.01 -44.08 20.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 p -61.28 -43.84 98.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.819 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.458 HD13 ' OD1' ' A' ' 68' ' ' ASN . 93.8 mt -61.39 159.68 12.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -129.48 126.1 37.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 63' ' ' GLN . 12.1 pt-20 -40.43 -45.62 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 16.1 mm-40 -48.01 -44.66 31.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.481 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 15.9 m-20 -73.01 111.57 8.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.466 HG13 ' HA ' ' A' ' 39' ' ' SER . 71.2 t -93.94 -65.47 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -49.85 -54.53 18.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -44.71 -65.68 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 64' ' ' ASN . 6.4 m-80 -38.88 -42.36 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -72.53 -63.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -39.54 -46.23 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.9 tp -58.57 -69.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.78 -58.58 2.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.414 ' CD1' ' HB3' ' A' ' 84' ' ' PRO . 11.6 m-85 -43.23 -34.63 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.4 ' OD2' ' HD2' ' A' ' 78' ' ' LYS . 6.8 t70 -84.61 -61.16 1.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 51.0 mm -46.65 -53.53 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.437 ' CB ' HD12 ' A' ' 80' ' ' LEU . . . -47.72 -67.41 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.413 ' HA ' ' N ' ' A' ' 82' ' ' ILE . 52.6 tt0 -53.21 -38.47 62.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.4 ' HD2' ' OD2' ' A' ' 74' ' ' ASP . 13.8 mtpp -55.35 -55.67 28.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -99.39 -69.14 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.667 HD11 HG12 ' A' ' 47' ' ' ILE . 32.2 mt -45.24 -40.74 7.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.27 26.34 28.53 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.508 HG23 ' OE1' ' A' ' 108' ' ' GLN . 87.2 mt -105.96 99.82 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 111.085 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.9 t -55.22 132.96 69.27 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.697 0.761 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.414 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 53.6 Cg_endo -69.79 143.46 50.79 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.657 2.238 . . . . 0.0 112.357 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.487 HG13 ' N ' ' A' ' 86' ' ' MET . 37.9 pt -84.67 -37.66 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.487 ' N ' HG13 ' A' ' 85' ' ' ILE . 71.1 mtm -135.68 166.17 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 32.4 p -95.44 148.02 22.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -43.2 -48.34 6.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.437 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -60.5 -47.05 87.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.744 0.307 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.472 ' O ' HG12 ' A' ' 94' ' ' VAL . 15.7 mt-10 -62.5 -38.06 88.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.405 ' O ' HG12 ' A' ' 94' ' ' VAL . 1.1 tpt -62.57 -42.94 99.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.17 -36.56 54.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.7 t -67.66 -47.24 70.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.472 HG12 ' O ' ' A' ' 90' ' ' GLU . 13.6 p -57.52 141.22 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -72.16 -42.93 49.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -159.01 129.63 3.62 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.608 0.718 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -176.36 1.48 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.646 2.231 . . . . 0.0 112.33 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 99' ' ' LYS . 10.6 t0 -104.96 120.42 41.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 98' ' ' ASP . 4.0 tmtm? -37.94 -53.04 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.7 mt -56.1 -65.74 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.1 m -43.89 -51.37 7.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 89.6 mmm -55.24 -58.38 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.401 ' CG2' ' HD3' ' A' ' 99' ' ' LYS . 72.8 t -54.68 -61.4 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 38.1 mtt -43.97 -51.25 7.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.429 ' CD1' HG23 ' A' ' 85' ' ' ILE . 80.5 t80 -57.53 -66.39 0.47 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 107' ' ' THR . 26.6 mt -44.98 -51.17 10.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.956 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 106' ' ' LEU . 98.5 m -31.35 -44.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.508 ' OE1' HG23 ' A' ' 82' ' ' ILE . 51.7 mt-30 -49.29 -56.16 10.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.445 ' CZ ' HD11 ' A' ' 43' ' ' LEU . 91.1 m-85 -54.28 -56.82 14.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.403 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 2.0 t80 -51.51 -61.2 2.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.403 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 18.3 mt-10 -51.42 -29.14 14.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 24.7 ttm -75.67 -46.36 31.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.56 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 32.9 m-85 -107.78 37.17 2.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.484 ' HG3' ' N ' ' A' ' 115' ' ' ASP . 47.1 pttt -82.38 -45.28 15.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.484 ' N ' ' HG3' ' A' ' 114' ' ' LYS . 0.6 OUTLIER -72.28 -46.32 56.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.853 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 115' ' ' ASP . 3.6 m -34.36 -39.87 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -103.2 141.94 15.36 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.449 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 1.67 4.23 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.727 2.285 . . . . 0.0 112.306 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.1 t -69.17 95.85 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.813 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.6 m -105.26 85.98 2.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.448 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -108.49 107.28 17.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.88 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 p -125.31 99.53 6.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.75 -169.39 23.55 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.456 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 m -121.21 42.37 3.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.9 0.381 . . . . 0.0 110.833 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.6 p -147.01 156.54 43.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.11 -152.95 17.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.5 t -64.18 150.36 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 111.128 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.05 95.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 11' ' ' SER . 18.6 ttp180 -112.58 150.48 31.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.757 ' CB ' HD23 ' A' ' 15' ' ' LEU . 79.5 p -34.53 107.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 13' ' ' LYS . 2.4 t -41.02 137.62 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 12' ' ' SER . 41.7 mmtt -34.34 -39.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.4 tp -66.53 -57.01 8.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.948 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.757 HD23 ' CB ' ' A' ' 11' ' ' SER . 50.5 tp -44.1 -63.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -36.05 -59.62 0.92 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 52.5 t90 -46.0 -57.58 4.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.745 0.307 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.8 m -56.92 -39.85 75.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.421 HE21 HD11 ' A' ' 15' ' ' LEU . 26.3 mt-30 -58.24 -42.34 86.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -76.54 -45.23 31.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -62.88 -60.47 3.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.409 ' CG2' HD11 ' A' ' 46' ' ' ILE . 58.0 p -53.5 -36.84 62.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -41.09 133.56 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.807 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.22 -36.83 3.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.53 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.542 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 14.7 m-85 -59.1 -175.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.912 0.386 . . . . 0.0 110.928 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -109.35 122.47 47.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.95 34.82 80.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.752 ' O ' HG12 ' A' ' 28' ' ' VAL . 53.4 t -120.81 67.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 111.169 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -91.55 96.96 10.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.3 t -79.65 96.39 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.176 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.0 t -104.84 -29.84 10.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -115.27 -174.97 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.2 mt -128.88 16.67 6.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.422 HG22 ' HG2' ' A' ' 97' ' ' PRO . 0.7 OUTLIER -130.88 -58.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.2 ptp -87.42 -27.44 22.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.4 t -56.68 -30.99 64.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.474 ' O ' ' N ' ' A' ' 40' ' ' GLY . 61.2 m95 -95.55 -29.19 14.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 37' ' ' TRP . 15.3 mtpt -36.53 -41.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.08 -44.55 91.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 37' ' ' TRP . . . 111.11 -43.66 1.67 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.505 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.736 HD21 ' HA ' ' A' ' 62' ' ' GLU . 79.8 mt -38.1 -66.13 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.808 0.337 . . . . 0.0 110.895 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -37.12 -61.76 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.6 tp -48.51 -42.1 32.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 65.7 m -68.43 -37.0 79.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.542 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -66.05 -29.34 69.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.409 HD11 ' CG2' ' A' ' 22' ' ' THR . 49.2 mm -66.11 -62.27 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.811 HG12 HD11 ' A' ' 80' ' ' LEU . 53.3 mt -56.4 -47.31 81.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 29.4 t-80 -61.5 -47.21 86.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 48' ' ' HIS . 17.9 tpt180 -34.41 -55.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -89.34 -49.54 6.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.505 ' HB2' HD12 ' A' ' 54' ' ' LEU . 9.8 mmm180 -120.98 95.99 48.73 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.567 0.699 . . . . 0.0 110.858 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.558 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.83 -37.99 8.26 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -51.19 -59.36 4.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.77 HD22 ' HG3' ' A' ' 79' ' ' GLU . 44.3 mt -38.82 -65.15 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.447 HG23 ' O ' ' A' ' 55' ' ' ILE . 6.5 tt -114.25 128.52 71.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -94.97 105.65 17.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.476 ' HA ' HD12 ' A' ' 60' ' ' LEU . 24.7 t80 -75.86 -42.8 48.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -48.11 -47.28 34.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.6 t -65.56 -47.01 77.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.476 HD12 ' HA ' ' A' ' 57' ' ' PHE . 55.9 mt -54.32 148.06 12.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.472 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 9.6 m-20 -118.76 131.05 56.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.736 ' HA ' HD21 ' A' ' 41' ' ' LEU . 1.1 pm0 -44.58 -40.72 5.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.44 ' N ' ' HG2' ' A' ' 62' ' ' GLU . 5.5 mm-40 -55.47 -46.43 76.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.472 ' ND2' ' HB2' ' A' ' 61' ' ' ASP . 21.6 m-20 -66.45 116.21 7.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 77.6 t -102.04 -62.14 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -52.97 -41.61 64.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -60.07 -65.74 0.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 64' ' ' ASN . 9.0 m-80 -38.73 -40.05 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -74.43 -64.0 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -41.33 -42.55 2.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 48.3 tp -64.8 -67.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.951 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.71 -55.96 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -46.01 -39.67 9.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -79.27 -64.41 1.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.825 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.9 mm -43.82 -54.35 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -42.56 -67.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.05 -38.61 73.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt -54.27 -50.11 68.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.77 ' HG3' HD22 ' A' ' 54' ' ' LEU . 5.3 mm-40 -104.42 -65.01 1.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.811 HD11 HG12 ' A' ' 47' ' ' ILE . 28.2 mt -51.54 -42.6 61.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 103.24 -18.88 47.59 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.597 HG23 ' CD ' ' A' ' 108' ' ' GLN . 71.2 mt -63.33 103.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.9 t -64.41 131.37 95.04 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.632 0.73 . . . . 0.0 110.841 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 127.08 14.11 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.258 . . . . 0.0 112.327 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.491 HG23 ' CD1' ' A' ' 105' ' ' TYR . 42.5 pt -63.0 -33.1 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.423 ' N ' HG13 ' A' ' 85' ' ' ILE . 5.6 ptp -146.54 170.14 17.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 49.8 p -92.62 145.21 24.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -38.55 -44.05 1.69 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.455 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.405 ' HD2' ' C ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -56.57 -51.95 66.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.704 0.288 . . . . 0.0 110.874 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.503 ' O ' HG12 ' A' ' 94' ' ' VAL . 8.6 mm-40 -58.13 -37.04 73.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.3 tpt -67.58 -34.85 77.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.23 -39.98 38.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.7 p -68.83 -53.68 20.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 90' ' ' GLU . 12.9 p -50.73 134.65 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.05 -35.95 91.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.44 ' H ' HG22 ' A' ' 94' ' ' VAL . 31.7 tt0 -167.33 132.53 1.64 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 110.921 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.422 ' HG2' HG22 ' A' ' 34' ' ' THR . 54.2 Cg_endo -69.77 178.51 4.5 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.36 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 99' ' ' LYS . 22.5 t70 -101.28 117.33 34.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.803 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.487 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.1 OUTLIER -34.26 -52.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.5 mt -52.05 -64.27 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.1 p -47.22 -54.77 9.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 85.1 mmm -51.89 -55.76 18.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 99' ' ' LYS . 84.2 t -56.52 -63.22 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 21.7 mtm -44.9 -52.65 8.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.491 ' CD1' HG23 ' A' ' 85' ' ' ILE . 82.2 t80 -59.57 -62.96 1.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 49.6 mt -44.03 -45.39 7.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 92.3 m -39.16 -48.29 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.597 ' CD ' HG23 ' A' ' 82' ' ' ILE . 52.9 mt-30 -44.96 -43.42 9.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -67.71 -50.52 57.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.408 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 2.0 t80 -55.46 -61.81 2.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.408 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 11.4 mm-40 -49.11 -28.25 4.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.3 ttm -68.18 -48.59 64.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -114.97 36.12 4.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 115' ' ' ASP . 4.0 ptmm? -80.97 -41.28 23.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.469 ' N ' ' HG3' ' A' ' 114' ' ' LYS . 4.4 m-20 -65.74 -42.56 90.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 115' ' ' ASP . 95.8 p -34.5 -44.53 0.2 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -57.25 146.03 37.33 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 2.81 3.2 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.657 2.238 . . . . 0.0 112.349 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.0 t -121.56 107.27 12.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.7 t -100.33 139.31 36.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.497 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.8 p -122.77 127.99 49.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 110.837 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 m -106.35 129.01 54.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.36 71.77 1.03 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.449 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -96.21 135.75 37.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 t 46.74 41.53 10.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.74 -144.47 17.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.494 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.7 m -103.8 42.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.856 0.36 . . . . 0.0 111.123 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.68 110.49 16.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -128.07 161.25 29.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 89.5 p -96.03 128.54 43.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 13' ' ' LYS . 7.9 t -101.44 137.49 39.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 12' ' ' SER . 14.6 mtpt -37.07 -50.7 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.555 HD21 ' HB2' ' A' ' 106' ' ' LEU . 12.8 tp -62.51 -51.61 66.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 16' ' ' GLY . 47.6 tp -42.0 -62.69 0.87 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -34.7 -56.37 0.79 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.506 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 52.3 t90 -46.24 -55.09 7.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.754 0.312 . . . . 0.0 110.957 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.7 m -58.74 -47.58 84.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -57.84 -21.08 40.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -93.1 -45.17 8.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -71.23 -54.34 11.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.1 p -60.93 -12.61 11.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -59.17 122.65 14.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.93 -37.35 2.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -65.03 167.83 7.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.932 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -110.14 133.22 53.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.084 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.23 -31.79 4.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.513 HG12 HG23 ' A' ' 30' ' ' VAL . 49.6 t -60.21 -69.24 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.819 0.343 . . . . 0.0 111.118 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 28' ' ' VAL . 6.2 p-10 35.82 52.03 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.513 HG23 HG12 ' A' ' 28' ' ' VAL . 24.2 t -40.39 114.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.8 t -123.92 5.43 8.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -162.62 179.05 8.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.701 HD13 HG22 ' A' ' 103' ' ' VAL . 87.8 mt -118.09 22.55 12.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.9 p -128.25 -74.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.3 mtp -74.05 -42.59 60.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 m -44.35 -29.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.47 ' CH2' HD22 ' A' ' 106' ' ' LEU . 61.0 m95 -98.95 -33.81 10.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 37' ' ' TRP . 5.0 mtpm? -35.3 -53.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.534 ' HA ' HG13 ' A' ' 65' ' ' VAL . 17.1 t -49.12 -47.69 45.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' TRP . . . 114.52 -37.14 3.65 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.487 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.483 HD11 ' HA ' ' A' ' 62' ' ' GLU . 85.3 mt -45.25 -45.37 11.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.12 -65.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.5 tp -50.97 -47.71 61.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.3 m -57.75 -38.89 76.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.36 -17.63 64.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.8 mm -80.14 -40.33 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.456 HG12 HD11 ' A' ' 80' ' ' LEU . 66.2 mt -74.53 -40.83 48.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -71.57 -45.31 62.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -38.1 -46.68 1.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -93.97 -50.95 5.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 mtt85 -123.05 94.96 46.64 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.579 0.704 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 55' ' ' ILE . 53.1 Cg_endo -69.75 -18.45 37.07 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.312 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.487 ' CG ' ' N ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -68.95 -51.59 38.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.487 ' N ' ' CG ' ' A' ' 53' ' ' ASP . 12.8 mt -48.02 -60.99 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.4 ' O ' ' O ' ' A' ' 52' ' ' PRO . 5.1 tt -115.91 151.35 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -117.0 107.03 14.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -74.63 -48.93 23.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -44.42 -39.91 5.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.6 t -73.08 -46.29 52.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.437 HD13 ' OD1' ' A' ' 68' ' ' ASN . 71.9 mt -56.15 163.1 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -133.83 156.05 48.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.483 ' HA ' HD11 ' A' ' 41' ' ' LEU . 5.7 pt-20 -66.95 -43.71 82.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -52.55 -44.62 65.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -68.38 115.21 7.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.534 HG13 ' HA ' ' A' ' 39' ' ' SER . 26.1 t -104.75 -64.92 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 89' ' ' LYS . 22.9 tt0 -53.06 -45.06 67.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -56.15 -66.09 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.437 ' OD1' HD13 ' A' ' 60' ' ' LEU . 12.2 m-80 -38.36 -45.17 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -68.22 -62.02 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -40.95 -40.04 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.3 tp -65.59 -65.27 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.52 -51.81 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -52.31 -28.59 19.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -87.97 -58.55 2.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.8 mm -53.01 -51.51 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -47.78 -68.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -55.99 -33.78 65.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -59.42 -48.46 81.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -106.95 -63.72 1.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 76' ' ' ALA . 30.2 mt -52.72 -35.7 56.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.19 -8.06 80.69 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.542 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 94.8 mt -68.1 109.05 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.342 . . . . 0.0 111.143 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t -63.97 132.71 95.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.65 0.738 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 152.03 69.2 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.458 HG23 ' CD1' ' A' ' 105' ' ' TYR . 30.8 pt -95.7 -21.89 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.0 ptp -162.46 160.82 26.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 90' ' ' GLU . 29.6 p -87.01 143.26 27.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.51 -44.33 0.86 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 15.3 tttt -62.53 -45.26 93.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.74 0.305 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.544 ' O ' HG12 ' A' ' 94' ' ' VAL . 9.1 mm-40 -65.79 -17.05 64.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.4 tpp -91.14 -29.01 17.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.98 -5.22 51.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.2 m -108.03 -38.7 5.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.801 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 90' ' ' GLU . 2.4 p -52.88 -15.43 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.71 -38.89 2.34 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -166.27 130.92 1.74 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.669 0.747 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.424 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 53.5 Cg_endo -69.79 -172.09 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.731 2.287 . . . . 0.0 112.331 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -118.23 125.84 50.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.64 ' O ' HG23 ' A' ' 103' ' ' VAL . 39.1 tptt -40.93 -51.49 3.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.5 mt -54.95 -72.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 t -41.83 -51.93 4.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.424 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 89.0 mmm -53.83 -65.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.701 HG22 HD13 ' A' ' 33' ' ' LEU . 85.7 t -47.59 -61.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 9.3 mtt -49.25 -69.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.458 ' CD1' HG23 ' A' ' 85' ' ' ILE . 62.7 t80 -39.54 -50.88 2.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.555 ' HB2' HD21 ' A' ' 14' ' ' LEU . 58.9 mt -57.7 -49.28 77.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 106' ' ' LEU . 93.3 m -36.71 -35.31 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -56.87 -49.11 76.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -64.69 -43.53 93.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.449 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 3.1 t80 -60.87 -67.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.449 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 36.2 mt-10 -44.5 -30.74 0.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 29.0 tpp -73.97 -37.48 64.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 110' ' ' TYR . 28.0 m-85 -109.72 23.12 14.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -73.43 -41.06 63.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.82 -58.26 4.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.4 m -51.93 131.17 30.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 78.16 -157.57 44.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 112.14 3.0 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 85.3 p -112.82 176.54 4.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.5 t -98.66 -51.11 4.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.486 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 m -142.06 122.02 13.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 110.813 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.3 p -44.09 143.34 1.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.69 125.02 1.26 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.6 t -162.16 139.13 8.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.836 0.35 . . . . 0.0 110.886 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -129.14 162.67 27.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.45 172.39 15.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 8' ' ' VAL . 29.4 m -103.47 57.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 111.149 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -128.79 -46.59 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.8 ttt-85 -90.3 -50.73 5.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.2 p -67.36 103.95 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.2 p -51.48 145.6 8.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.33 -45.35 17.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.633 HD21 ' HB2' ' A' ' 106' ' ' LEU . 41.1 tp -64.49 -54.17 36.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.8 tp -41.69 -56.03 2.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.52 -52.56 6.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.476 ' CZ2' ' HB2' ' A' ' 113' ' ' PHE . 50.6 t90 -51.35 -52.9 41.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.727 0.299 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.759 ' O ' HG23 ' A' ' 22' ' ' THR . 63.6 m -59.42 -43.51 93.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -59.97 -48.51 81.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 20' ' ' ARG . 5.8 mmm180 -65.9 -50.74 63.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -61.73 -61.57 2.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.759 HG23 ' O ' ' A' ' 18' ' ' CYS . 45.2 p -49.28 -43.28 43.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -40.23 110.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.04 -27.51 2.78 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -72.53 -179.88 3.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.905 0.383 . . . . 0.0 110.913 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -103.24 133.99 47.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 51.73 30.46 28.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.565 ' O ' HG12 ' A' ' 28' ' ' VAL . 79.1 t -120.87 76.55 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 111.109 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -102.15 99.78 9.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.1 t -83.06 92.62 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 t -104.84 12.22 32.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -166.99 -175.03 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.418 HD13 HG22 ' A' ' 103' ' ' VAL . 26.6 mt -125.89 31.09 5.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.2 p -133.74 -74.46 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.2 ptm -81.5 -22.04 38.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.3 m -59.92 -24.92 64.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.427 ' O ' ' C ' ' A' ' 38' ' ' LYS . 36.6 m95 -106.94 -28.24 10.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 37' ' ' TRP . 7.7 mtpm? -36.47 -47.69 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.9 t -49.43 -53.76 21.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.51 -29.7 6.02 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 42' ' ' ALA . 89.1 mt -55.06 -63.7 1.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.797 0.332 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -36.54 -62.53 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.6 tp -46.96 -42.46 17.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 71.4 m -70.98 -30.47 66.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.75 -22.14 63.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.8 mm -74.0 -62.33 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.587 HG12 HD11 ' A' ' 80' ' ' LEU . 81.5 mt -54.64 -42.16 59.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 45.2 t-80 -68.35 -47.42 67.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' HIS . 19.1 tpt85 -37.0 -50.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -88.69 -52.83 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -121.27 95.74 48.39 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.648 0.737 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.578 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.79 -11.94 31.82 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -73.18 -55.57 6.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.618 ' CD1' HD21 ' A' ' 80' ' ' LEU . 14.3 mt -44.21 -58.73 2.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.6 tt -122.0 142.75 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -109.36 105.96 15.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -74.33 -44.9 50.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -48.27 -39.31 21.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.4 t -74.4 -43.96 54.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.9 mt -57.38 158.93 5.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.426 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 1.8 m-20 -127.59 150.92 49.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -67.11 -38.49 85.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -55.71 -26.19 43.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.426 ' ND2' ' HB2' ' A' ' 61' ' ' ASP . 31.5 m-20 -89.98 115.24 27.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 96.5 t -102.21 -67.46 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -48.31 -35.67 12.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 68' ' ' ASN . 38.4 tptt -65.7 -71.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 67' ' ' LYS . 8.7 m-80 -35.42 -38.09 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -75.18 -62.19 1.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.415 ' C ' ' CD ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -45.11 -49.54 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.6 tp -52.27 -67.22 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.66 -54.8 3.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -47.91 -33.17 7.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -86.42 -59.93 2.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 30.4 mm -47.66 -52.77 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -43.17 -72.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -53.19 -45.45 68.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -44.55 -57.57 3.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -98.91 -63.76 1.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.618 HD21 ' CD1' ' A' ' 54' ' ' LEU . 19.6 mt -52.47 -53.51 44.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 109.68 -9.31 32.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.689 HG23 ' OE1' ' A' ' 108' ' ' GLN . 97.4 mt -70.35 110.94 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 111.197 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t -66.96 131.92 93.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.654 0.74 . . . . 0.0 110.837 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 157.04 61.64 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.619 HD12 ' OG ' ' A' ' 101' ' ' SER . 18.0 pt -99.08 -32.92 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.072 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.458 ' SD ' ' CG1' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -134.22 173.72 11.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 90' ' ' GLU . 1.3 p -112.54 145.13 40.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -35.89 -45.15 0.79 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.497 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.4 tptp -63.07 -43.39 98.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.713 0.292 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 87' ' ' THR . 28.6 mm-40 -69.36 -16.14 63.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.5 ttt -92.28 -26.13 18.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -86.81 -27.23 23.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.059 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.3 m -86.39 -51.22 6.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.4 p -52.08 136.24 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.52 -40.49 90.96 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.417 ' CG ' ' HD2' ' A' ' 97' ' ' PRO . 25.4 tt0 -159.8 137.65 7.28 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.619 0.723 . . . . 0.0 110.894 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.492 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 53.7 Cg_endo -69.73 169.23 19.36 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -93.87 121.19 35.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -39.29 -52.6 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 82.5 mt -53.72 -73.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.619 ' OG ' HD12 ' A' ' 85' ' ' ILE . 1.2 t -39.29 -51.91 2.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.492 ' CG ' ' HB2' ' A' ' 97' ' ' PRO . 88.5 mmm -53.77 -64.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.418 HG22 HD13 ' A' ' 33' ' ' LEU . 77.2 t -52.3 -61.78 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 40.1 mtp -47.61 -44.51 26.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.514 ' CD1' HG23 ' A' ' 85' ' ' ILE . 34.6 t80 -64.67 -66.67 0.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.633 ' HB2' HD21 ' A' ' 14' ' ' LEU . 49.1 mt -43.01 -43.72 4.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 98.7 m -40.59 -41.84 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.689 ' OE1' HG23 ' A' ' 82' ' ' ILE . 62.2 mt-30 -50.84 -43.18 59.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -69.36 -46.59 66.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.489 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 2.1 t80 -58.21 -65.61 0.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.489 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 16.3 mm-40 -43.09 -34.62 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 60.2 ttm -75.08 -43.25 54.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.476 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 22.8 m-85 -105.06 34.73 3.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -89.04 -35.48 16.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.422 ' CG ' ' N ' ' A' ' 116' ' ' SER . 1.6 p-10 -82.76 -49.11 10.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.422 ' N ' ' CG ' ' A' ' 115' ' ' ASP . 38.8 t -39.59 139.96 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 98.96 -121.34 7.17 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.48 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 115.82 4.28 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 87.6 p -62.19 127.67 32.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 27.3 p -79.78 144.32 33.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.842 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -138.25 151.64 47.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.831 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.4 t -165.74 140.79 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.14 117.84 0.8 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -98.85 174.07 6.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.884 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -101.28 98.96 9.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.32 -115.98 0.66 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.453 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.5 m -85.66 155.29 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.812 0.339 . . . . 0.0 111.127 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -155.73 158.12 37.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.065 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.6 mtt85 -120.92 174.87 6.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.824 ' HA ' HD23 ' A' ' 15' ' ' LEU . 2.8 m 50.01 53.44 12.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.848 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 t -50.53 147.61 4.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -45.93 -43.17 13.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.512 HD21 ' HB2' ' A' ' 106' ' ' LEU . 55.8 tp -67.3 -55.2 14.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.824 HD23 ' HA ' ' A' ' 11' ' ' SER . 41.1 tp -40.79 -50.66 3.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.58 -50.07 14.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.457 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.481 ' CZ2' ' HG3' ' A' ' 21' ' ' GLN . 62.6 t90 -55.15 -43.42 74.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.745 0.307 . . . . 0.0 110.929 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.42 ' O ' HG23 ' A' ' 22' ' ' THR . 66.1 m -64.33 -39.91 94.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -66.09 -29.75 70.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -85.25 -40.63 16.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.481 ' HG3' ' CZ2' ' A' ' 17' ' ' TRP . 34.6 mm-40 -72.46 -50.04 29.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 18' ' ' CYS . 27.4 p -72.73 2.98 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -69.7 122.48 19.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.13 -37.66 2.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.442 ' OH ' ' N ' ' A' ' 49' ' ' ARG . 32.9 m-85 -60.49 175.94 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.378 . . . . 0.0 110.931 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.82 130.29 55.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.64 -32.51 4.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 29' ' ' ASN . 98.9 t -61.86 -69.1 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 111.15 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 28' ' ' VAL . 44.2 t30 34.83 52.66 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.439 HG23 HG12 ' A' ' 28' ' ' VAL . 42.9 t -38.85 126.78 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.5 -38.02 1.36 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -105.24 -175.83 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.503 HD21 ' HB2' ' A' ' 15' ' ' LEU . 65.7 mt -124.35 4.97 8.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.5 p -119.24 -75.31 0.58 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.532 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 73.4 mtp -71.2 -28.43 64.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.0 t -47.37 -24.06 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.76 ' CH2' HD22 ' A' ' 106' ' ' LEU . 4.8 m95 -112.69 -13.06 13.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.532 ' CG ' ' HA ' ' A' ' 35' ' ' MET . 7.6 mmmt -47.37 -31.84 4.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.7 p -78.99 -32.08 45.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.65 -36.24 4.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.527 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.7 mt -41.67 -49.22 4.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 110.949 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.77 -64.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 43' ' ' LEU . 7.3 tp -50.06 -40.87 46.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 68' ' ' ASN . 88.0 m -68.51 -35.99 78.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.25 -31.39 70.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.064 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.09 -58.5 7.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.527 HG12 HD11 ' A' ' 80' ' ' LEU . 39.2 mt -57.4 -44.57 84.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.439 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 11.6 t-80 -62.29 -51.25 68.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.444 ' HD3' ' C ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -36.37 -62.44 0.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -75.95 -46.97 27.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -128.45 94.7 34.85 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.439 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.81 -24.62 29.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.326 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -45.42 88.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 29.6 mt -52.51 -59.01 4.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.9 tt -125.44 140.76 47.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -102.6 123.04 45.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -88.6 -38.22 15.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.51 -31.99 69.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 m -77.2 -42.73 36.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.531 HD13 ' OD1' ' A' ' 68' ' ' ASN . 73.4 mt -57.79 175.48 0.19 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -154.04 133.89 13.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -45.87 -40.2 9.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -49.17 -47.83 45.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.403 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 1.0 OUTLIER -76.32 110.82 11.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 70.5 t -101.11 -51.91 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -63.38 -27.07 69.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 68' ' ' ASN . 41.2 tttt -74.53 -68.49 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.531 ' OD1' HD13 ' A' ' 60' ' ' LEU . 5.8 m-80 -34.81 -41.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -74.29 -63.54 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -41.34 -42.56 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.3 tp -61.71 -66.5 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.14 -56.29 4.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -43.96 -27.16 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -93.98 -58.42 2.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.9 mm -49.57 -49.99 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -47.46 -74.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.074 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.56 -44.84 62.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -44.33 -56.33 4.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -101.49 -63.2 1.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.527 HD11 HG12 ' A' ' 47' ' ' ILE . 29.2 mt -51.44 -51.88 51.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 109.46 -3.2 30.95 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.558 HD13 ' CD1' ' A' ' 109' ' ' PHE . 70.6 mt -74.21 104.92 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 111.157 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t -63.1 130.26 94.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.61 0.719 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 137.81 36.49 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.718 2.278 . . . . 0.0 112.355 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.8 pt -80.22 -26.99 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.153 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.6 ptp -152.81 171.98 17.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.0 p -97.73 145.32 26.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -38.26 -44.36 1.6 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -59.88 4.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.741 0.305 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -52.95 -21.23 4.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.3 tpt -83.7 -28.06 28.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.35 -35.11 23.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.123 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.4 p -71.93 -38.15 69.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.468 HG22 ' H ' ' A' ' 96' ' ' GLU . 9.6 p -67.52 153.37 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.26 -28.11 37.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.486 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.468 ' H ' HG22 ' A' ' 94' ' ' VAL . 15.1 tt0 -175.19 137.17 0.55 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 0.0 110.87 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 165.6 30.38 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.342 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -87.62 130.43 34.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -44.33 -62.65 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 85.1 mt -45.03 -67.04 0.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.6 p -43.26 -54.66 4.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 93.4 mmm -53.62 -64.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 76.6 t -43.7 -55.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.154 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 56.8 mtp -55.12 -69.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -41.87 -57.27 2.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.76 HD22 ' CH2' ' A' ' 37' ' ' TRP . 39.6 mt -52.63 -54.76 28.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 106' ' ' LEU . 96.7 m -33.9 -43.89 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.479 ' NE2' HG23 ' A' ' 82' ' ' ILE . 39.1 mt-30 -47.53 -49.28 26.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.558 ' CD1' HD13 ' A' ' 82' ' ' ILE . 65.8 m-85 -62.07 -36.35 81.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 114' ' ' LYS . 1.2 t80 -68.31 -56.07 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.415 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 45.6 mt-10 -58.59 -18.18 27.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 5.7 tpp -88.27 -24.09 23.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.426 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 25.0 m-85 -124.09 18.45 9.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 110' ' ' TYR . 14.1 ptmt -74.94 -40.13 60.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 116' ' ' SER . 1.6 p-10 -73.6 -46.71 45.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 115' ' ' ASP . 2.2 t -36.08 135.57 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 118.87 144.91 7.57 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -3.92 13.0 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.719 2.279 . . . . 0.0 112.374 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.1 p -137.29 178.76 6.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.6 t -147.3 146.44 29.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -69.53 125.69 27.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.859 0.361 . . . . 0.0 110.862 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -82.67 -61.1 1.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.34 -164.43 24.26 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.3 t -66.22 -51.39 58.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.375 . . . . 0.0 110.846 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -141.15 132.02 25.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.66 137.68 2.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.527 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.1 t -75.53 86.88 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.861 0.362 . . . . 0.0 111.136 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.48 155.91 31.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -71.87 174.85 6.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 63.0 m -42.18 131.94 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 13' ' ' LYS . 34.4 t -103.28 140.33 37.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.815 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 12' ' ' SER . 7.8 mtmp? -36.78 -42.74 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.515 HD21 ' HB2' ' A' ' 106' ' ' LEU . 20.0 tp -63.91 -58.26 7.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' GLY . 25.4 tp -37.59 -62.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -37.85 -63.32 0.89 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 71.7 t90 -40.78 -48.2 2.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.748 0.308 . . . . 0.0 110.908 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.693 ' O ' HG23 ' A' ' 22' ' ' THR . 38.1 m -63.68 -39.5 94.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -64.28 -49.12 73.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.8 mmt-85 -68.25 -45.29 73.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -63.42 -51.79 64.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 18' ' ' CYS . 44.4 p -67.09 -4.46 10.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.106 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -67.54 122.06 17.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.57 -23.31 6.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.494 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -73.14 171.2 13.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 0.0 110.915 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.11 118.01 35.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.116 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.26 19.21 79.77 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.699 ' O ' HG12 ' A' ' 28' ' ' VAL . 95.1 t -115.9 60.93 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.888 0.375 . . . . 0.0 111.147 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.418 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 2.4 t30 -89.34 79.86 6.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.0 112.4 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.0 t -126.66 -6.7 6.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.174 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -127.69 177.23 6.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.2 mt -120.61 11.26 11.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.6 p -132.46 -70.89 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 38' ' ' LYS . 26.4 mtm -66.48 -44.45 82.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 t -45.67 -22.33 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 53.0 m95 -105.23 -20.73 13.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.948 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 35' ' ' MET . 8.4 mtpm? -52.84 -42.56 65.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.4 p -59.42 -34.4 72.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.77 -43.22 1.72 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.513 HD23 ' OD1' ' A' ' 68' ' ' ASN . 91.3 mt -39.18 -68.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.814 0.34 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -34.14 -67.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.8 tp -43.97 -43.27 6.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.3 m -65.54 -37.71 87.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.38 -17.56 64.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.1 mm -79.24 -49.4 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.445 HG12 HD11 ' A' ' 80' ' ' LEU . 33.3 mt -67.84 -44.41 85.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.553 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 16.0 t-80 -63.5 -46.46 85.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' HIS . 21.7 tpt180 -35.64 -54.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' A' ' 113' ' ' PHE . 10.8 m-85 -86.51 -51.39 6.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.416 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 41.7 mtt85 -123.39 97.66 42.25 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.572 0.701 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.553 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.77 -14.33 35.9 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.644 2.229 . . . . 0.0 112.329 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -73.02 -59.56 2.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.6 mt -38.28 -53.29 1.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.9 tt -123.66 135.38 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -101.84 93.42 5.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -64.55 -54.12 37.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -43.17 -33.2 0.86 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 m -78.39 -47.21 18.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.7 mt -53.01 152.77 3.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -126.49 129.37 48.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -42.26 -37.76 1.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -61.7 -42.94 99.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -72.2 70.25 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 57.8 t -54.53 -75.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.403 ' HG3' ' HB2' ' A' ' 92' ' ' ALA . 2.8 mp0 -39.62 -58.08 1.37 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -40.85 -63.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.513 ' OD1' HD23 ' A' ' 41' ' ' LEU . 3.6 m-80 -42.24 -29.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 70' ' ' GLN . 69.4 m-80 -90.25 -66.54 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 69' ' ' ASN . 49.5 tp60 -37.88 -39.08 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.0 tp -65.45 -67.14 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.96 -48.57 32.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -51.75 -27.36 11.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -93.31 -60.02 1.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.7 mm -48.65 -49.07 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.192 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -50.74 -68.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -53.56 -38.22 63.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -55.79 -47.31 77.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -108.0 -67.54 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 76' ' ' ALA . 56.6 mt -47.7 -39.16 16.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 91.87 7.5 64.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.578 HG23 ' CD ' ' A' ' 108' ' ' GLN . 76.5 mt -87.03 103.87 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.907 0.385 . . . . 0.0 111.153 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t -59.88 133.18 89.55 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.652 0.739 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 138.01 36.82 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.315 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.404 HG23 ' CD1' ' A' ' 105' ' ' TYR . 35.9 pt -80.51 -29.19 11.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.8 ptp -153.73 166.5 32.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 31.1 p -89.81 154.84 19.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -47.61 -48.11 23.06 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.44 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.64 -58.58 7.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.722 0.296 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -50.37 -36.29 31.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 19.5 tpp -66.26 -36.14 82.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.403 ' HB2' ' HG3' ' A' ' 66' ' ' GLU . . . -76.72 -38.67 53.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.0 m -68.01 -52.88 30.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.532 HG22 ' H ' ' A' ' 96' ' ' GLU . 9.3 p -52.97 142.05 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.124 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -77.7 -24.27 65.29 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.514 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.532 ' H ' HG22 ' A' ' 94' ' ' VAL . 49.2 tt0 -169.03 126.9 0.86 Allowed Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.622 0.725 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.433 ' HB2' ' CG ' ' A' ' 102' ' ' MET . 53.7 Cg_endo -69.75 144.21 53.35 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.688 2.258 . . . . 0.0 112.339 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 99' ' ' LYS . 10.9 t70 -58.3 109.39 0.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.815 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -34.42 -67.74 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 67.5 mt -40.55 -55.65 2.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.9 m -55.77 -41.32 73.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.486 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -62.55 -62.05 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.1 t -53.3 -51.21 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.5 mtt -56.55 -68.47 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.404 ' CD1' HG23 ' A' ' 85' ' ' ILE . 64.9 t80 -41.74 -48.18 4.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.515 ' HB2' HD21 ' A' ' 14' ' ' LEU . 81.6 mt -59.49 -51.0 71.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 106' ' ' LEU . 95.6 m -35.46 -50.58 0.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.578 ' CD ' HG23 ' A' ' 82' ' ' ILE . 47.4 mt-30 -41.17 -46.8 3.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -63.99 -61.49 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.439 ' CD2' ' N ' ' A' ' 111' ' ' GLU . 1.1 t80 -46.08 -58.47 3.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.945 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.439 ' N ' ' CD2' ' A' ' 110' ' ' TYR . 75.5 mt-10 -51.27 -23.41 3.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 1.4 tpt -78.23 -41.58 33.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.548 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 19.4 m-85 -115.61 35.95 4.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 13.6 pttm -82.65 -36.31 26.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -74.69 -54.64 7.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.2 m -42.07 -32.72 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -82.85 161.3 39.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -30.14 23.1 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.76 2.307 . . . . 0.0 112.327 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 65.8 m -86.63 151.07 23.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.0 t -145.99 161.91 39.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.452 -179.984 . . . . . . . . 0 0 . 1 stop_ save_