data_2cps_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 2cps _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 ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.719 0.295 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.43 -62.29 1.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.682 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.39 -46.33 18.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.99 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -63.39 -39.64 95.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.492 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -73.47 -26.66 61.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.437 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.75 -20.89 62.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mt -84.18 -43.33 15.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.089 0.471 . . . . 0.0 110.294 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -69.68 -25.23 63.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.871 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.384 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 CA--C 1.532 0.268 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -89.62 -8.42 52.58 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.619 0.247 . . . . 0.0 110.938 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -112.04 -12.68 13.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.266 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.3 mm -91.29 78.16 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 CA-C-O 121.115 0.483 . . . . 0.0 109.753 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.7 -58.11 0.1 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -69.0 -26.03 64.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.738 0.304 . . . . 0.0 110.337 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.34 -31.72 70.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.447 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -66.54 -41.13 89.19 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.51 -36.07 81.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.944 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.56 -37.51 85.11 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.476 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.3 t -59.64 -44.94 94.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.043 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.13 -34.31 56.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.126 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.413 ' O ' ' CB ' ' A' ' 35' ' ' ALA . 72.1 t -72.65 -13.38 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.807 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.9 mt -91.19 -47.98 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.415 ' O ' HG23 ' A' ' 36' ' ' THR . 6.0 t -81.54 -61.4 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.73 -26.4 5.5 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 31' ' ' VAL . . . -70.09 -23.99 63.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.66 0.266 . . . . 0.0 110.581 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.458 ' CG2' ' N ' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -82.1 -48.62 11.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.828 0.347 . . . . 0.0 110.217 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.458 ' N ' ' CG2' ' A' ' 36' ' ' THR . 47.5 mt -48.22 -34.32 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.548 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.63 -64.16 3.76 Favored Glycine 0 N--CA 1.459 0.184 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 mt -62.01 -33.59 59.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.634 0.254 . . . . 0.0 110.58 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -49.59 74.06 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.022 0.439 . . . . 0.0 109.96 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.6 mt -58.38 -27.68 64.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.548 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -71.13 -43.55 67.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.025 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -62.25 -38.77 90.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.141 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.457 ' HE2' ' N ' ' A' ' 45' ' ' PHE . 1.1 tmmm? -60.49 -50.64 72.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.693 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.457 ' N ' ' HE2' ' A' ' 44' ' ' LYS . 8.4 m-85 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.947 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.863 0.364 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.68 -50.46 15.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.231 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.63 -27.58 68.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.24 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -74.5 -45.36 46.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.338 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -73.37 -22.16 60.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.653 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.07 -32.92 21.13 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.825 0.345 . . . . 0.0 110.375 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.4 tp -53.67 -40.18 65.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.064 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -62.45 -38.29 89.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.513 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.019 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.6 p . . . . . 0 CA--C 1.522 -0.123 0 CA-C-O 120.859 0.362 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.486 ' O ' ' CZ ' ' A' ' 24' ' ' TYR . 0.7 OUTLIER -85.69 -10.2 56.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.973 179.802 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -110.45 -21.6 12.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.308 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.453 HD11 HG21 ' A' ' 22' ' ' ILE . 8.5 mm -89.93 -5.45 10.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 116.91 -0.132 . . . . 0.0 111.052 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.99 -25.08 53.65 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.498 ' CD1' ' N ' ' A' ' 24' ' ' TYR . 1.6 m-30 -77.22 -28.45 53.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.708 0.289 . . . . 0.0 110.347 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.53 -15.25 60.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.905 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.477 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 5.8 m95 -84.53 -53.45 5.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.871 0.367 . . . . 0.0 110.838 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.07 -34.09 3.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.416 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.4 mmt -74.16 -40.47 62.56 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.477 HG12 ' CZ3' ' A' ' 26' ' ' TRP . 0.5 OUTLIER -49.6 -51.3 15.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.752 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 66.2 t -50.58 -35.7 13.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.383 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.3 t -78.48 -26.7 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.262 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.459 HG23 HD11 ' A' ' 32' ' ' ILE . 60.5 mt -83.42 -23.67 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.211 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 83.9 t -66.29 -34.39 69.86 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.1 -44.54 66.29 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.6 -25.87 4.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.873 0.368 . . . . 0.0 110.074 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.1 m -78.3 -43.9 26.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.226 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.4 mt -58.02 -23.14 20.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.622 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.38 -22.8 61.92 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mm -91.29 -37.81 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -51.55 67.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.625 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.7 mt -56.79 -30.38 63.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.076 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -71.87 -26.88 62.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.663 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.6 14.95 10.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.458 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.59 -51.9 2.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.876 0.37 . . . . 0.0 110.464 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.453 179.856 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 120.739 0.304 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.22 -68.53 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.568 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.82 -50.24 26.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.968 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -56.87 -38.91 73.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -74.33 -23.51 59.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 110.767 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.27 -21.9 62.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.299 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mt -88.88 -43.28 11.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.968 0.413 . . . . 0.0 110.602 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -74.52 -31.78 62.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.514 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.953 -179.912 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.835 0.35 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -81.88 -18.25 44.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -102.39 -22.08 14.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.056 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.455 HG21 HD11 ' A' ' 22' ' ' ILE . 8.3 mm -90.45 -4.16 10.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.07 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.03 -19.65 79.8 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -83.06 -24.3 32.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.747 0.308 . . . . 0.0 110.66 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.69 -19.36 61.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.033 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -70.3 -25.36 63.29 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.698 0.285 . . . . 0.0 110.627 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.25 -53.71 18.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.55 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -32.1 70.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.191 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 32' ' ' ILE . 98.6 t -69.19 -50.7 50.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.217 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.437 HG11 ' N ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -49.52 -29.37 4.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.488 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.437 ' N ' HG11 ' A' ' 30' ' ' VAL . 85.3 t -76.87 -27.02 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.277 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' VAL . 70.7 mt -84.84 -21.55 7.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.372 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.0 t -74.1 -25.76 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 37' ' ' ILE . . . -72.83 -54.81 6.92 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.99 -29.3 3.34 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.159 0.504 . . . . 0.0 109.791 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.3 m -68.66 -41.85 78.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.388 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 34' ' ' GLY . 48.4 mt -62.85 -38.76 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.862 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.87 -63.73 4.99 Favored Glycine 0 C--N 1.329 0.146 0 N-CA-C 110.696 -0.962 . . . . 0.0 110.696 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.3 mt -58.33 -44.82 89.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.634 -0.283 . . . . 0.0 110.59 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -39.85 65.3 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 120.869 0.366 . . . . 0.0 110.25 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.1 mt -63.81 -50.79 67.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.13 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -43.7 -33.09 1.14 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.874 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -84.82 -58.04 2.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.077 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.411 ' O ' ' NZ ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -50.91 -33.43 24.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.173 -179.331 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--O 1.231 0.109 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.703 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.841 0.353 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.94 -44.25 86.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.188 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.52 -41.38 73.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.523 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -70.33 -46.14 64.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.346 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -67.31 -39.07 85.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.879 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.47 -28.07 64.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.491 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.5 tp -72.51 -38.82 68.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.777 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -76.67 -30.97 56.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.992 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.485 -179.529 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.1 p . . . . . 0 N--CA 1.463 0.182 0 CA-C-O 120.604 0.24 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.499 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 0.5 OUTLIER -82.29 1.67 35.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.563 0.22 . . . . 0.0 110.548 179.234 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' ALA . 11.9 m-85 -106.92 17.26 23.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.71 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.45 HD11 HG22 ' A' ' 22' ' ' ILE . 8.2 mm -80.75 -43.48 21.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.828 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.99 2.09 78.9 Favored Glycine 0 CA--C 1.528 0.844 0 C-N-CA 121.217 -0.516 . . . . 0.0 112.877 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.499 ' CD2' ' O ' ' A' ' 20' ' ' GLU . 2.6 m-85 -124.69 -39.52 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 117.595 0.697 . . . . 0.0 111.863 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 21' ' ' TYR . . . -65.8 -16.83 64.17 Favored 'General case' 0 C--N 1.333 -0.147 0 O-C-N 122.339 -0.226 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -77.44 -29.36 52.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.761 0.315 . . . . 0.0 110.425 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.34 -24.91 63.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.259 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.4 mmm -83.55 -37.65 22.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.322 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.416 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 69.7 t -57.25 -34.7 46.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.136 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.05 -36.44 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.405 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.7 t -77.12 -18.78 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.949 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.1 mt -95.7 -29.69 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.325 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 29' ' ' VAL . 53.4 t -60.45 -32.88 52.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-O 120.665 0.269 . . . . 0.0 110.358 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.82 -53.82 6.95 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.8 -31.34 2.96 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.165 0.507 . . . . 0.0 109.84 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.4 m -64.48 -43.68 93.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.554 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.4 mt -61.88 -26.82 40.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.089 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.25 -59.42 6.32 Favored Glycine 0 CA--C 1.517 0.194 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.6 mt -61.41 -43.04 96.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.53 -0.335 . . . . 0.0 110.857 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -40.96 74.85 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.793 0.33 . . . . 0.0 110.636 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.6 mt -55.4 -25.87 38.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.631 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -80.72 -54.33 5.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.646 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -15.91 41.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.942 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.74 -43.05 15.89 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.575 0.226 . . . . 0.0 110.882 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 . . . . . 0 C--N 1.331 -0.231 0 CA-C-O 120.838 0.351 . . . . 0.0 110.876 -179.899 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.665 0.269 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.63 -67.25 0.22 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.538 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.02 -51.82 68.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.486 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -51.42 -35.97 41.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -73.1 -39.06 66.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.513 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.34 -27.96 50.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.32 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.1 tp -76.07 -32.67 59.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.487 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -82.01 -27.71 32.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.854 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.152 -179.912 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.6 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.672 0.272 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.41 -0.05 41.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.227 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -114.82 -8.43 12.58 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.3 mm -91.09 -46.04 14.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.03 -18.62 41.67 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.807 -0.517 . . . . 0.0 111.807 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -89.78 -24.71 21.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.023 0.412 . . . . 0.0 110.554 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.8 -12.2 60.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.517 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -79.09 -40.62 30.71 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-O 120.897 0.38 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.34 -30.08 70.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.523 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.0 mmt -76.31 -24.74 54.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.16 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.7 t -78.39 -31.45 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.212 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 34' ' ' GLY . 85.7 t -73.47 -38.63 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.356 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.5 t -68.13 -21.86 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-O 120.91 0.386 . . . . 0.0 110.783 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.2 mt -94.36 -54.36 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.362 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 78.9 t -72.92 -24.49 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.195 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -65.03 -41.3 97.29 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.408 ' O ' HG12 ' A' ' 39' ' ' ILE . . . -51.18 -29.35 13.61 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.8 m -77.24 -51.41 10.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.893 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.8 mt -53.61 -27.32 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.58 -25.88 74.26 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 35' ' ' ALA . 2.5 mm -91.5 -45.0 14.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.087 0.47 . . . . 0.0 109.837 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -30.62 54.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.83 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.6 mt -68.0 -51.29 48.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.115 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -52.94 -51.35 61.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.482 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -14.65 53.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.177 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.61 -54.73 5.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.741 0.305 . . . . 0.0 110.88 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 -179.824 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 9' ' ' ALA . 6.4 ptmm? . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.909 0.385 . . . . 0.0 110.136 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.416 ' N ' ' HG3' ' A' ' 8' ' ' LYS . . . -64.27 -30.93 71.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.933 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.2 -47.32 62.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.918 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -63.12 -32.39 73.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.994 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -82.1 -23.83 35.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.331 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -23.94 67.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.439 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 mt -75.89 -40.45 54.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.08 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -80.4 -29.59 37.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.555 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.24 -179.873 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.8 p . . . . . 0 N--CA 1.462 0.168 0 CA-C-O 120.327 0.108 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -76.01 -9.78 58.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.703 0.287 . . . . 0.0 111.178 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -102.04 -23.42 14.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.64 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.468 HD11 HG22 ' A' ' 22' ' ' ILE . 9.4 mm -86.84 -14.45 10.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.855 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.76 -31.3 75.1 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -53.63 -27.54 27.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.86 0.362 . . . . 0.0 110.262 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.411 ' O ' ' CG2' ' A' ' 29' ' ' VAL . . . -86.0 -27.18 25.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -56.61 -32.28 65.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.227 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.27 -47.82 39.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.726 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.6 tpp -66.19 -38.43 88.0 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.254 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.411 ' CG2' ' O ' ' A' ' 25' ' ' ALA . 59.7 t -55.68 -30.67 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.0 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.7 t -69.95 -30.82 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.04 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.4 t -80.15 -15.26 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.819 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 42.8 mt -84.71 -26.06 6.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.304 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.409 ' O ' HG23 ' A' ' 36' ' ' THR . 47.6 t -69.41 -59.68 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.56 -26.09 7.13 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.36 -26.49 66.5 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.497 ' CG2' ' N ' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -76.04 -54.08 7.38 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.731 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.497 ' N ' ' CG2' ' A' ' 36' ' ' THR . 44.8 mt -47.95 -25.9 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.99 -60.11 3.22 Favored Glycine 0 CA--C 1.519 0.327 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.4 mt -67.84 -24.11 30.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.64 0.257 . . . . 0.0 110.826 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -71.33 -44.28 65.41 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.596 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.3 mt -63.14 -35.19 79.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.737 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -63.43 -44.56 94.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.95 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -38.29 71.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.781 -178.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.431 ' O ' ' NZ ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -77.72 -52.2 9.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.51 0.195 . . . . 0.0 110.902 -178.863 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 C--N 1.331 -0.202 0 CA-C-O 120.64 0.257 . . . . 0.0 110.929 -179.949 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.45 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 120.886 0.374 . . . . 0.0 110.32 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.45 -27.66 0.76 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.979 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.1 -50.17 6.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.364 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -53.29 -34.92 59.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.387 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -72.99 -32.76 65.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.332 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -21.86 40.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.298 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 mt -85.99 -44.12 12.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.367 . . . . 0.0 110.865 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -67.63 -36.29 80.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.708 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.603 179.718 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.5 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.866 0.365 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -83.65 -3.59 57.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.594 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -107.72 -18.09 13.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.445 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.3 mm -88.68 -6.5 10.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 121.28 -0.168 . . . . 0.0 111.268 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.52 -41.48 36.15 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -70.84 -31.16 67.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.771 0.319 . . . . 0.0 110.456 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.59 -24.03 65.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.418 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -61.53 -37.15 82.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.302 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.33 -50.14 55.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.263 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -43.01 86.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.041 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.1 t -52.37 -29.16 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.277 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.7 t -78.75 -35.88 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.245 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.1 t -70.8 -25.39 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.371 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 56.0 mt -79.18 -22.43 12.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.274 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.5 t -84.92 -35.2 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.92 -56.11 11.88 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.423 ' O ' ' CD1' ' A' ' 39' ' ' ILE . . . -48.83 -29.05 4.18 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.078 0.466 . . . . 0.0 109.871 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.9 m -73.4 -49.15 28.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.093 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 82.9 mt -64.52 -27.04 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.397 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.51 -54.8 24.05 Favored Glycine 0 N--CA 1.459 0.199 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.423 ' CD1' ' O ' ' A' ' 35' ' ' ALA . 4.4 mt -68.73 -46.71 79.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.515 -0.343 . . . . 0.0 110.687 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -43.33 65.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 0.0 110.404 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.0 mt -60.81 -30.12 69.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.933 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -71.23 -53.61 13.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.173 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.32 -18.52 11.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.38 -0.373 . . . . 0.0 112.0 -179.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.452 ' CE ' ' HA ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -90.63 -56.47 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.706 0.288 . . . . 0.0 110.96 -179.442 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 120.77 0.319 . . . . 0.0 111.04 -179.517 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 9' ' ' ALA . 7.5 ptmm? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.778 0.323 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.417 ' N ' ' HG3' ' A' ' 8' ' ' LYS . . . -74.4 -64.14 1.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.321 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.417 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -56.8 -30.28 63.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.551 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.93 -43.96 94.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.915 0.388 . . . . 0.0 110.367 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -74.31 -41.05 61.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.03 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.95 -36.08 64.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.028 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.417 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 16.3 tp -69.63 -41.26 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.697 0.284 . . . . 0.0 110.645 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -53.33 -36.22 61.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.59 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.26 -179.753 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 CA--C 1.531 0.225 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -80.52 -0.31 36.97 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.707 0.289 . . . . 0.0 110.583 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -101.06 -0.55 36.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.383 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.5 mt -90.26 79.13 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.255 0 CA-C-O 121.325 0.583 . . . . 0.0 109.558 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.14 -44.77 0.4 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.28 -1.128 . . . . 0.0 110.28 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -92.95 -32.26 14.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.25 -26.59 67.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.341 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -63.58 -46.56 85.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.062 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.41 -29.01 68.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.371 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.5 mmm -84.77 -43.4 14.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.197 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.404 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 62.1 t -52.6 -43.14 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.422 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.3 t -61.34 -40.9 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.275 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.4 t -72.86 -12.05 15.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.59 -179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.403 HD12 HG22 ' A' ' 32' ' ' ILE . 41.6 mt -98.82 -38.85 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.474 0.178 . . . . 0.0 111.316 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 29' ' ' VAL . 20.3 t -46.26 -40.35 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 120.658 0.266 . . . . 0.0 111.295 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -89.5 -56.19 1.93 Allowed Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.02 -29.35 4.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.077 0.465 . . . . 0.0 109.749 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 16.9 m -65.07 -49.44 70.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.512 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 55.9 mt -59.79 -36.19 64.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.418 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.89 -70.03 1.14 Allowed Glycine 0 N--CA 1.459 0.215 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.0 mt -49.34 -35.44 8.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.607 -0.297 . . . . 0.0 110.911 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -60.76 -54.65 42.56 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.932 0.396 . . . . 0.0 110.083 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.7 mt -51.84 -27.62 13.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.772 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -71.12 -50.52 32.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.096 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -19.37 16.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.156 -0.474 . . . . 0.0 112.276 -178.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.92 -40.81 18.1 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 120.71 0.29 . . . . 0.0 110.874 -179.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.321 -179.011 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 121.522 0.677 . . . . 0.0 111.85 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.35 -73.44 0.12 Allowed 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.528 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.42 -28.67 55.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.535 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -49.89 18.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.567 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -64.31 -26.59 68.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.324 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -29.34 67.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.973 0.416 . . . . 0.0 110.085 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -73.66 -38.23 65.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.543 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -71.65 -34.78 70.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.748 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.764 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.2 p . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 120.41 0.148 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -96.18 0.41 51.13 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 120.557 0.218 . . . . 0.0 111.207 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -106.51 2.75 26.46 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.9 mt -91.1 76.55 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.222 0.534 . . . . 0.0 109.669 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.35 -45.31 0.35 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.46 -1.056 . . . . 0.0 110.46 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -84.51 -33.57 23.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.336 . . . . 0.0 110.275 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.87 -21.46 66.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.495 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -68.14 -37.08 80.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.249 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.4 -32.93 51.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.48 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 mmt -80.86 -51.62 8.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.139 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.9 t -49.98 -25.59 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.481 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.1 t -79.91 -37.02 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.015 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.7 t -75.72 -19.94 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.703 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 38.6 mt -90.72 -40.07 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.049 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.401 ' O ' HG21 ' A' ' 36' ' ' THR . 55.7 t -72.4 -53.08 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.87 -26.73 5.93 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.53 -23.95 64.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.632 0.254 . . . . 0.0 110.525 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.421 ' CG2' ' N ' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -82.64 -46.6 13.05 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.421 ' N ' ' CG2' ' A' ' 36' ' ' THR . 56.1 mt -51.38 -30.69 10.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.979 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.87 -68.75 1.54 Allowed Glycine 0 C--N 1.329 0.147 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.3 mt -57.9 -34.45 48.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.728 0.299 . . . . 0.0 110.458 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -50.96 69.28 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.905 0.384 . . . . 0.0 110.016 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.4 mt -55.22 -23.47 22.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.363 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -75.76 -31.61 59.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -83.02 -14.05 54.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.403 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.27 -55.23 4.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.828 0.347 . . . . 0.0 110.725 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.663 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 mtpp . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.689 0.281 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.23 -78.65 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.594 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.65 -54.66 11.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.99 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -50.69 -37.54 41.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.419 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -71.59 -35.94 70.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.356 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.63 -29.57 70.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.756 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.6 tp -78.32 -31.13 48.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.796 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -92.66 -37.27 12.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.765 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.306 -179.796 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.421 ' CG2' ' O ' ' A' ' 19' ' ' THR . 64.5 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.075 0.464 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.31 -14.84 34.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.269 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -104.39 -22.21 13.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.624 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 mm -80.27 -21.54 11.65 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.229 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.9 -12.56 57.51 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -71.98 -34.79 69.22 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.68 -26.07 63.27 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 178.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -62.52 -30.89 71.62 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.897 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.91 -28.57 65.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.08 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 mmt -85.94 -45.75 11.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.859 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.0 t -53.26 -41.79 44.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.357 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.0 p -59.86 -31.93 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.982 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.5 t -77.44 -25.65 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.687 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.7 mt -88.04 -37.22 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.011 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.0 t -83.07 -26.65 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.48 -39.25 69.21 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.43 -32.45 49.83 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.7 m -67.34 -48.12 68.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.227 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.3 mt -55.42 -31.04 26.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.49 -20.66 73.9 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.3 mm -91.05 -45.57 14.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.427 ' HE3' ' CA ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -56.95 -46.66 81.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.481 179.04 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.6 mt -55.76 -35.92 66.75 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.38 -50.69 58.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.848 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -15.09 42.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.321 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.34 -59.41 1.76 Allowed 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 CA--C 1.518 -0.252 0 CA-C-O 120.662 0.268 . . . . 0.0 110.745 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.907 0.384 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.12 -73.2 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.717 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.17 -33.54 3.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.938 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.67 -39.41 62.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.523 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -74.66 -27.48 60.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.56 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.35 -29.86 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.29 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.3 tp -70.53 -42.48 71.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.382 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -68.42 -35.26 77.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.594 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.085 179.82 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.0 t . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 120.647 0.26 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -85.51 0.0 53.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.018 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -100.55 -21.49 15.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.969 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.489 HD11 HG22 ' A' ' 22' ' ' ILE . 3.5 mm -83.95 -30.42 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.379 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -46.51 -28.83 3.64 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -73.95 -22.11 59.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.674 0.273 . . . . 0.0 111.13 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.94 -9.35 58.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.42 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -82.98 -42.62 17.36 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.788 0.328 . . . . 0.0 110.57 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.85 -26.43 35.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.551 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.8 mmm -84.97 -34.39 22.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.2 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.1 t -74.4 -31.54 28.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.179 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.2 t -69.95 -42.05 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.038 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.8 t -64.76 -21.68 29.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.637 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.2 mt -100.45 -62.63 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.607 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 70.3 t -77.71 -49.02 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.652 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.97 -49.21 59.8 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.81 -26.97 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.925 0.393 . . . . 0.0 110.414 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.1 m -85.99 -55.22 4.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.982 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.6 mt -51.89 -28.16 9.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.14 -21.66 77.13 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 mm -91.0 -48.07 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.434 ' HE3' ' CA ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -53.9 -46.5 71.44 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.898 179.574 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.8 mt -58.18 -28.88 65.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.348 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -74.68 -52.97 10.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.559 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -24.43 64.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.558 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -80.8 -37.5 30.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.737 0.303 . . . . 0.0 110.309 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.445 -0.679 0 CA-C-O 121.405 0.622 . . . . 0.0 112.066 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.62 -44.29 9.13 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.118 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.79 -25.01 48.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.257 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.58 -57.39 3.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.273 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -54.31 -45.84 72.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.206 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.19 -28.47 69.16 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.057 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.416 ' CD1' ' C ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -62.77 -43.6 98.38 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -66.72 -39.07 87.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.152 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.122 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.464 0.227 0 CA-C-O 120.929 0.395 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -86.49 -18.76 30.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.946 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -90.61 -21.39 21.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.41 HD11 HG22 ' A' ' 22' ' ' ILE . 8.6 mm -87.92 -11.2 10.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.242 -179.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.64 -44.5 63.21 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -70.9 -24.2 62.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.691 0.281 . . . . 0.0 110.389 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.93 -30.35 70.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.24 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.414 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.9 OUTLIER -56.5 -27.01 56.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.287 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.82 -45.92 55.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.37 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -38.61 71.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.392 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.4 t -57.88 -35.71 52.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.433 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.414 ' CG2' ' O ' ' A' ' 26' ' ' TRP . 93.1 t -65.68 -35.88 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.4 t -73.01 -20.0 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.417 HG22 HD11 ' A' ' 32' ' ' ILE . 67.2 mt -93.92 -47.84 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.325 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 70.0 t -68.02 -25.37 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.421 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.5 -53.17 26.15 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.78 -29.04 1.74 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.099 0.476 . . . . 0.0 110.232 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.4 m -73.5 -50.35 21.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.01 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.0 mm -51.88 -36.39 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.861 0.362 . . . . 0.0 110.219 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -53.62 -69.44 1.22 Allowed Glycine 0 C--N 1.329 0.165 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.2 mt -48.65 -44.32 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.445 -0.378 . . . . 0.0 110.664 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -50.6 64.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.798 0.332 . . . . 0.0 110.285 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.5 mt -57.28 -27.14 61.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.52 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -72.61 -43.17 63.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.125 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -59.48 -17.35 30.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.051 -179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.18 -55.08 3.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.565 0.222 . . . . 0.0 110.973 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.147 -179.754 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.214 0 CA-C-O 120.917 0.389 . . . . 0.0 110.573 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.37 -68.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.489 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.79 -40.1 62.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.497 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -60.86 -37.75 83.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.311 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -68.7 -37.08 79.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.129 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.15 -27.66 68.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.94 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 tp -63.78 -29.96 71.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.274 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -48.86 -25.8 2.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.791 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.103 179.925 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.461 0.119 0 CA-C-O 120.752 0.31 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.422 ' O ' ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -90.21 2.22 55.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.072 -179.821 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -124.11 -15.74 6.71 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.423 HD11 HG22 ' A' ' 22' ' ' ILE . 13.5 mt -91.61 -41.8 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.63 -60.21 9.16 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.422 ' CE2' ' O ' ' A' ' 20' ' ' GLU . 32.7 m-85 -51.19 -29.78 15.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.579 0.228 . . . . 0.0 110.929 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.4 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -59.37 -22.67 61.7 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -81.43 -52.21 7.5 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.144 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.22 -25.44 9.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.142 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.9 mmm -81.25 -37.97 27.69 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.94 -30.42 47.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.014 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.31 -29.74 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.592 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.7 t -82.57 -23.2 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.902 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.5 mt -88.79 -26.14 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.345 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 25.5 t -78.25 -31.36 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.15 -52.46 3.42 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.9 -32.33 14.38 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.2 m -63.92 -41.2 97.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.473 -0.785 . . . . 0.0 108.997 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 58.5 mt -75.88 -26.05 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.901 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.71 -50.12 44.65 Favored Glycine 0 C--N 1.332 0.309 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.8 mt -68.94 -39.72 80.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.513 -0.343 . . . . 0.0 110.746 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.427 ' HE3' ' CA ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -60.81 -37.88 83.5 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 179.596 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.23 -32.83 71.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.239 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.466 ' CD1' ' C ' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -69.18 -56.27 8.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.006 0.431 . . . . 0.0 109.859 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.12 -27.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.983 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.27 -50.69 4.46 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.627 0.251 . . . . 0.0 111.251 -179.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 CA--C 1.518 -0.267 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -179.342 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.621 0.248 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.66 -84.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.453 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.89 -29.58 1.44 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.283 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.61 -36.81 81.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.798 0.332 . . . . 0.0 110.613 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -79.9 -36.38 36.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.151 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.21 -31.33 55.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.713 0.292 . . . . 0.0 110.626 -179.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.74 -30.7 61.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.7 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -48.43 -31.83 6.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.323 -179.866 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 66.9 p . . . . . 0 CA--C 1.531 0.244 0 CA-C-O 120.362 0.125 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.485 ' O ' ' CE1' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -94.87 -8.95 35.75 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.684 0.278 . . . . 0.0 111.607 -179.736 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -102.38 -17.95 15.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.108 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.3 mm -77.12 -36.31 24.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.15 -10.51 59.56 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.485 ' CE1' ' O ' ' A' ' 20' ' ' GLU . 5.5 m-30 -67.81 -36.41 80.37 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.433 ' O ' ' CG2' ' A' ' 29' ' ' VAL . . . -69.66 -25.07 63.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.085 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -67.41 -45.63 75.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.411 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.418 ' O ' ' CG1' ' A' ' 30' ' ' VAL . . . -63.17 -51.04 67.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.059 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -38.7 70.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' A' ' 25' ' ' ALA . 23.7 t -53.09 -45.49 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.418 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -54.63 -25.33 14.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.775 -179.675 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.9 t -88.45 -19.74 7.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.616 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 25.7 mt -83.94 -34.14 9.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.819 0.342 . . . . 0.0 110.389 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.1 t -56.98 -30.86 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.559 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 37' ' ' ILE . . . -71.24 -54.76 8.54 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.48 -29.45 2.74 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.189 0.518 . . . . 0.0 109.987 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.5 m -70.7 -39.45 73.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.775 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' GLY . 37.9 mt -64.17 -32.46 57.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.228 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.43 -69.85 1.18 Allowed Glycine 0 C--N 1.33 0.195 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.5 mt -49.35 -43.38 16.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.444 -0.378 . . . . 0.0 110.722 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -52.59 63.94 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.903 0.382 . . . . 0.0 110.4 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.2 mt -58.54 -28.33 65.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.751 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -67.62 -43.82 79.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -60.5 -16.1 33.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.559 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.97 -62.31 1.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.465 0.174 . . . . 0.0 110.555 -179.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 CA--C 1.517 -0.316 0 C-N-CA 121.19 -0.204 . . . . 0.0 110.771 -179.828 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.411 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.05 -63.25 1.21 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.286 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.16 -53.78 51.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.204 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -52.28 -34.07 44.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.114 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -74.78 -37.62 62.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.132 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.08 -27.79 68.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.524 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.6 tp -72.66 -30.12 64.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.689 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -89.05 -47.05 8.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.27 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 120.888 0.375 . . . . 0.0 110.698 179.884 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.8 0.333 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -84.99 -22.68 29.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -89.29 -24.54 22.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.307 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.485 ' CD1' ' N ' ' A' ' 22' ' ' ILE . 1.1 mp -87.11 -44.0 16.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.256 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -39.15 -33.5 0.27 Allowed Glycine 0 CA--C 1.527 0.841 0 CA-C-N 116.407 -0.36 . . . . 0.0 112.34 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -57.07 -27.78 62.02 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 122.623 -0.339 . . . . 0.0 111.0 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.52 -5.65 41.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.603 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -90.68 -51.58 5.31 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.775 0.321 . . . . 0.0 111.08 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.71 -26.62 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.701 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.8 mmt -77.37 -45.03 27.32 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.9 t -66.41 -26.39 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.336 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.9 t -73.27 -33.28 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.253 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 75.1 t -78.22 -21.82 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.78 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.8 mt -92.72 -39.2 11.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.578 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 51.6 t -83.41 -26.36 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.482 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.04 -48.21 82.25 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.66 -27.01 2.57 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.922 0.391 . . . . 0.0 110.221 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.8 m -83.32 -53.1 5.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.288 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.482 HD11 HG22 ' A' ' 37' ' ' ILE . 69.3 mt -53.83 -28.33 16.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.73 -51.36 55.54 Favored Glycine 0 C--N 1.33 0.206 0 N-CA-C 110.148 -1.181 . . . . 0.0 110.148 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.4 mt -69.41 -55.61 14.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.106 -0.547 . . . . 0.0 110.596 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.424 ' HE3' ' CA ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -47.65 -35.34 9.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.803 0.335 . . . . 0.0 110.358 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.7 mt -61.0 -37.5 82.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.231 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -65.74 -53.57 38.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.733 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.51 -24.03 4.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.377 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -89.78 -69.37 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.345 -179.502 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.462 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 13.2 m-85 . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.618 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.331 0 CA-C-O 120.543 0.211 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -37.75 -82.55 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.924 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.402 ' HA ' ' OG ' ' A' ' 13' ' ' SER . . . -46.83 -49.56 19.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.24 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -49.95 -43.2 49.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.237 -179.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -71.69 -24.17 61.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.722 0.296 . . . . 0.0 111.091 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.402 ' OG ' ' HA ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -70.25 -8.4 49.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.779 -179.496 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.432 ' N ' HD21 ' A' ' 14' ' ' LEU . 4.0 mm? -97.3 -52.75 3.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.419 0.628 . . . . 0.0 109.723 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -43.21 -45.21 5.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.084 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.172 -179.294 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.463 0.221 0 CA-C-O 120.595 0.236 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.43 -16.43 23.42 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.779 0.323 . . . . 0.0 111.072 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -110.0 -19.39 13.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.314 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 mt -91.47 77.7 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.042 0.449 . . . . 0.0 109.802 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -172.64 -55.83 0.05 OUTLIER Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -59.0 -23.58 62.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.738 0.304 . . . . 0.0 110.664 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.78 -10.4 59.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.385 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -79.46 -48.48 13.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.762 0.315 . . . . 0.0 110.623 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.22 -51.6 57.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.472 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -45.39 76.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.585 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.5 t -53.92 -36.76 31.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.411 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.2 -24.58 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.476 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 75.2 t -85.92 -27.06 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-O 121.009 0.433 . . . . 0.0 110.25 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.3 mt -89.62 -20.31 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.702 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.7 t -55.53 -49.46 73.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.139 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.39 -60.89 5.5 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.87 -28.27 1.52 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.025 0.44 . . . . 0.0 110.172 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.9 m -71.54 -45.91 61.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.057 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.3 mt -56.12 -46.53 81.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.259 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.16 -72.01 0.55 Allowed Glycine 0 CA--C 1.518 0.223 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 mt -48.05 -41.21 9.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.704 -0.248 . . . . 0.0 110.908 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -49.71 74.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.017 0.437 . . . . 0.0 110.446 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.9 mt -54.74 -28.23 46.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.773 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -73.79 -54.34 8.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.277 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.95 -19.52 4.76 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.76 -60.28 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.166 -179.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.635 -179.806 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.519 -0.245 0 CA-C-O 121.668 0.747 . . . . 0.0 112.561 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.48 -65.86 0.98 Allowed 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.802 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.82 -47.13 82.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.794 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -48.9 -41.94 35.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.6 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -71.15 -46.05 62.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.266 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.27 -33.45 41.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.273 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.2 tp -63.75 -33.93 76.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.031 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -63.73 -36.3 83.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.541 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.756 -179.801 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.8 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.706 0.289 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -90.64 -15.72 29.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 0.0 111.253 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -104.5 -21.99 13.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.176 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.406 HG21 ' O ' ' A' ' 22' ' ' ILE . 8.3 mm -83.8 -8.56 11.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.53 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 26' ' ' TRP . . . -70.07 -25.64 75.34 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -56.79 -25.21 55.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.897 0.379 . . . . 0.0 110.085 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.22 -18.4 32.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.691 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.41 ' HB2' ' O ' ' A' ' 23' ' ' GLY . 1.3 m95 -65.59 -30.43 71.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.809 0.338 . . . . 0.0 110.434 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.08 -51.24 44.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.544 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.67 -50.7 42.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.884 0.373 . . . . 0.0 110.12 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.2 t -62.16 -38.11 80.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.51 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.69 -32.86 55.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.941 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.9 t -73.58 -13.77 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.925 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 67.6 mt -94.76 -39.52 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.793 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.1 t -88.09 -35.66 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.4 -40.6 97.8 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.41 ' O ' ' CD1' ' A' ' 39' ' ' ILE . . . -51.49 -31.56 24.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.004 0.431 . . . . 0.0 110.113 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.6 m -75.07 -44.8 45.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.969 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.6 mt -63.12 -38.25 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.103 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.83 -65.67 3.36 Favored Glycine 0 C--N 1.329 0.15 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.41 ' CD1' ' O ' ' A' ' 35' ' ' ALA . 4.3 mt -56.04 -43.75 76.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.593 -0.303 . . . . 0.0 110.789 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.59 -36.45 64.43 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.736 0.303 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.7 mt -66.6 -44.67 81.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.656 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -53.11 -49.53 66.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.844 0.354 . . . . 0.0 110.628 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.92 -22.45 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.555 -179.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.422 ' HE3' ' HA ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -95.48 -74.12 0.56 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.518 0.199 . . . . 0.0 110.51 -179.648 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.405 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 5.8 m-85 . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.832 -0.167 . . . . 0.0 110.949 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.851 0.357 . . . . 0.0 110.65 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.467 ' N ' ' HG3' ' A' ' 8' ' ' LYS . . . -51.16 -53.39 35.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.5 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.17 -47.08 78.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.366 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.62 -34.38 78.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.229 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -77.68 -31.22 52.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.293 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.53 -28.83 69.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.014 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -68.18 -26.44 65.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.205 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -86.78 -36.09 18.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.683 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.234 -179.574 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.8 p . . . . . 0 CA--C 1.531 0.236 0 CA-C-O 120.421 0.153 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -92.8 -10.87 35.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.747 0.308 . . . . 0.0 111.768 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -92.09 -15.29 27.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.16 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.505 ' CD1' ' N ' ' A' ' 22' ' ' ILE . 1.1 mp -89.33 -46.65 15.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.057 -178.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -42.11 -32.32 1.04 Allowed Glycine 0 CA--C 1.528 0.86 0 N-CA-C 112.334 -0.306 . . . . 0.0 112.334 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -71.94 -34.97 69.46 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.659 -0.318 . . . . 0.0 110.95 -179.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.97 -19.65 19.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -77.91 -48.56 16.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.665 0.269 . . . . 0.0 110.836 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.54 -52.95 63.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.345 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -35.18 59.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.059 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.411 HG11 ' N ' ' A' ' 30' ' ' VAL . 0.7 OUTLIER -54.82 -49.2 71.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.411 ' N ' HG11 ' A' ' 29' ' ' VAL . 92.7 t -56.51 -48.28 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.614 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.9 t -58.56 -19.13 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.967 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.414 HD12 HG22 ' A' ' 32' ' ' ILE . 80.8 mt -95.76 -44.1 12.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.459 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.1 t -63.24 -28.02 44.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-O 120.792 0.33 . . . . 0.0 110.42 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.59 -52.9 6.92 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.4 ' O ' HG12 ' A' ' 39' ' ' ILE . . . -47.93 -30.3 4.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.087 0.47 . . . . 0.0 109.847 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.7 m -65.36 -47.37 76.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.606 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.1 mm -55.33 -21.53 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.874 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.23 -21.86 50.44 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 35' ' ' ALA . 1.8 mm -91.62 -35.71 7.26 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.351 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -45.75 90.96 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.774 179.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.1 mt -56.76 -25.34 54.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.266 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -86.63 -38.86 16.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -67.97 -48.07 66.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.805 0.336 . . . . 0.0 110.855 -179.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.447 ' HE2' ' N ' ' A' ' 45' ' ' PHE . 1.2 tmmm? -44.26 -51.7 8.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.913 -179.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.447 ' N ' ' HE2' ' A' ' 44' ' ' LYS . 9.7 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.878 0.37 . . . . 0.0 110.468 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.909 0.385 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.02 -65.7 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.885 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.15 -39.03 19.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.615 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -68.4 -37.46 80.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.375 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -77.35 -48.58 16.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.712 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -31.07 71.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.507 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 14' ' ' LEU . 1.4 tm? -52.14 -40.75 61.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.093 0.473 . . . . 0.0 110.139 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -72.61 -36.0 67.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.395 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.714 0.292 . . . . 0.0 111.23 -179.272 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.1 p . . . . . 0 N--CA 1.462 0.13 0 CA-C-O 120.624 0.25 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.407 ' OE1' ' CA ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -86.77 -13.1 46.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.347 -179.891 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -108.1 -18.96 13.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.274 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.422 HG23 HD11 ' A' ' 22' ' ' ILE . 12.0 mt -91.25 78.24 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.101 0.477 . . . . 0.0 109.768 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.67 -49.75 0.18 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -78.59 -24.46 45.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.693 0.282 . . . . 0.0 110.607 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.18 -24.66 60.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.515 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -69.67 -40.03 76.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.346 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.76 -46.16 70.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.307 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 ttp -58.72 -46.41 87.4 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 120.945 0.402 . . . . 0.0 110.305 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.5 t -55.71 -39.76 57.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.974 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.4 t -64.58 -27.35 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.073 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.2 t -79.1 -27.4 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.284 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.427 HD11 HG23 ' A' ' 32' ' ' ILE . 47.2 mt -75.0 -22.47 17.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.915 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.4 ' O ' HG21 ' A' ' 36' ' ' THR . 18.0 t -68.02 -56.9 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.65 -27.14 5.88 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.5 -28.68 69.82 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.4 HG21 ' O ' ' A' ' 33' ' ' VAL . 0.9 OUTLIER -67.68 -42.12 82.6 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.552 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.7 mm -58.66 -25.52 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.404 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.02 -61.8 3.84 Favored Glycine 0 C--N 1.33 0.246 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.4 mt -58.97 -39.52 78.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.575 -0.313 . . . . 0.0 110.287 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.446 ' HE3' ' N ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -57.42 -47.8 80.81 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.453 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.9 mt -63.08 -39.23 94.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.644 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -54.03 -35.05 61.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.04 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -74.12 -56.92 4.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.427 -178.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 44' ' ' LYS . 4.7 tmmm? -47.48 -53.82 13.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.375 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.607 0.242 . . . . 0.0 110.663 179.787 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 121.308 0.575 . . . . 0.0 111.945 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.97 -60.96 1.83 Allowed 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.544 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.78 -41.65 74.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.659 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.16 -33.49 70.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.39 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -85.28 -24.87 27.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.537 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.57 -28.9 23.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.401 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.4 tp -64.21 -40.29 95.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.757 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -70.6 -46.29 63.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.532 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.623 179.951 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 N--CA 1.461 0.12 0 CA-C-O 120.574 0.226 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.11 -18.02 24.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 111.05 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -111.25 -21.86 11.67 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.326 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 mt -92.41 67.69 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.144 0 CA-C-O 121.007 0.432 . . . . 0.0 110.213 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -173.22 -56.39 0.05 OUTLIER Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -75.99 -25.79 56.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 0.0 110.548 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.415 ' O ' ' CG2' ' A' ' 29' ' ' VAL . . . -67.05 -23.84 65.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.507 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -73.54 -50.56 20.74 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.216 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.59 -33.94 48.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.182 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.5 tpp -75.61 -45.18 38.99 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.216 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.415 ' CG2' ' O ' ' A' ' 25' ' ' ALA . 87.8 t -57.93 -48.79 83.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.132 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.423 HG11 ' N ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -49.36 -34.11 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.454 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.423 ' N ' HG11 ' A' ' 30' ' ' VAL . 54.0 t -74.5 -23.83 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.428 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 29' ' ' VAL . 57.3 mt -90.7 -45.49 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.325 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 51.7 t -71.13 -41.95 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.68 -29.97 26.8 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.35 -28.32 69.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.439 HG21 ' N ' ' A' ' 37' ' ' ILE . 1.1 t -72.7 -33.4 66.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.112 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.439 ' N ' HG21 ' A' ' 36' ' ' THR . 23.7 mt -63.58 -28.56 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.846 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.73 -30.36 64.01 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 mm -91.09 -40.31 12.47 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -43.21 94.59 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.901 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.9 mt -60.84 -41.34 95.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.928 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -59.07 -49.25 78.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.499 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -18.59 13.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.84 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -93.16 -52.03 4.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.823 0.344 . . . . 0.0 110.654 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.455 179.964 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.834 0.349 . . . . 0.0 110.581 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.02 -30.78 62.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.317 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.27 -47.58 19.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.344 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -52.86 -43.4 66.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.259 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -71.96 -24.09 61.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.443 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.6 -30.64 52.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.205 179.866 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.7 tp -71.58 -39.66 70.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.976 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.03 -22.96 63.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.331 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.563 -179.842 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.6 m . . . . . 0 N--CA 1.462 0.129 0 CA-C-O 120.736 0.303 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -75.07 -11.77 60.17 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.82 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -117.62 -6.79 11.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.904 -179.434 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.9 mt -90.29 79.12 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.487 0 CA-C-O 121.508 0.67 . . . . 0.0 109.728 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.518 ' N ' ' HB3' ' A' ' 26' ' ' TRP . . . 178.03 -52.91 0.1 OUTLIER Glycine 0 C--N 1.313 -0.74 0 N-CA-C 110.093 -1.203 . . . . 0.0 110.093 179.704 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -89.09 -35.88 16.06 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.391 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -90.49 -10.09 44.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.485 177.532 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.518 ' HB3' ' N ' ' A' ' 23' ' ' GLY . 4.1 t-105 -90.54 -43.59 10.12 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 123.115 0.566 . . . . 0.0 109.927 -179.71 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.43 -43.55 80.9 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.279 -179.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -36.47 82.44 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.662 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 t -51.93 -43.81 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.79 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.1 t -59.16 -25.75 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.389 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 80.5 t -84.92 -14.64 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 39.0 mt -85.19 -42.15 16.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.766 0.317 . . . . 0.0 110.358 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 53.4 t -77.56 -36.81 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 179.543 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.09 -29.46 36.04 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 179.505 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.92 -28.25 68.79 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.513 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.401 HG21 ' N ' ' A' ' 37' ' ' ILE . 1.0 OUTLIER -70.79 -35.71 72.68 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.888 179.624 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.401 ' N ' HG21 ' A' ' 36' ' ' THR . 28.6 mt -62.34 -26.58 40.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.122 179.841 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.78 -30.37 61.8 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 mm -91.35 -41.87 13.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.442 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -42.14 84.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.803 179.694 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.96 -41.76 97.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.268 179.529 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -59.26 -31.42 69.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.99 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -81.97 -2.19 50.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.719 -179.068 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.42 -53.34 2.67 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.819 0.342 . . . . 0.0 110.865 -179.436 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.579 -179.894 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.786 0.327 . . . . 0.0 111.273 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.479 ' N ' ' HG3' ' A' ' 8' ' ' LYS . . . -75.88 -70.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.447 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -50.64 -24.6 3.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.981 -179.753 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.72 -39.55 44.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.725 0.298 . . . . 0.0 110.734 -179.719 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -83.73 -50.52 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.713 -179.774 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.85 -31.6 66.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.763 -179.755 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 62.3 tp -72.84 -41.11 65.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.725 -179.542 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -78.37 -38.12 42.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.514 -179.776 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.257 -179.95 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.431 ' CG2' ' HB ' ' A' ' 22' ' ' ILE . 11.4 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.997 0.427 . . . . 0.0 110.055 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.09 -5.75 59.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.781 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -99.52 -21.44 15.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.82 0.343 . . . . 0.0 110.39 179.648 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.431 ' HB ' ' CG2' ' A' ' 19' ' ' THR . 8.8 mm -85.67 -42.85 16.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.77 -179.622 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -43.64 -43.67 6.52 Favored Glycine 0 C--O 1.225 -0.448 0 CA-C-O 120.075 -0.292 . . . . 0.0 113.452 -178.794 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -55.0 -43.63 73.79 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 118.003 0.901 . . . . 0.0 110.44 -178.822 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.74 -13.97 28.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.735 0.303 . . . . 0.0 110.59 178.789 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.45 ' HB3' ' HA2' ' A' ' 23' ' ' GLY . 6.6 t-105 -90.94 -23.93 20.3 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 122.855 0.462 . . . . 0.0 111.254 -178.358 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 23' ' ' GLY . . . -86.76 -53.18 5.07 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.641 -179.289 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -30.04 4.45 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.782 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 t -69.76 -43.06 80.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.261 179.33 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.2 t -67.04 -46.74 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.502 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.4 t -52.88 -28.86 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-O 121.036 0.446 . . . . 0.0 110.241 179.827 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.8 mt -74.61 -29.62 23.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.656 179.668 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.9 t -82.65 -26.26 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.362 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.93 -34.97 83.53 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 109.922 -1.271 . . . . 0.0 109.922 179.425 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.41 -33.82 63.87 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.213 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.1 m -67.62 -43.16 81.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.373 179.379 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.8 mt -62.18 -23.68 32.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 179.135 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.38 -25.57 65.52 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.661 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 mm -90.93 -41.07 13.12 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.442 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -47.86 84.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.336 179.38 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 39.1 mt -63.98 -43.16 96.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.821 179.063 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -49.62 -44.61 47.46 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.506 179.765 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -65.33 -19.0 65.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.133 -179.455 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -54.47 4.46 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-O 120.771 0.319 . . . . 0.0 110.547 -179.864 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 C--N 1.329 -0.288 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.357 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.425 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 2.7 mmmm . . . . . 0 CA--C 1.52 -0.191 0 CA-C-O 121.581 0.705 . . . . 0.0 112.517 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.33 -85.7 0.4 Allowed 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.409 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.61 -33.99 61.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.766 0.317 . . . . 0.0 110.463 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.35 -30.44 70.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.412 -179.809 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -92.61 -46.71 7.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.576 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.01 -37.92 89.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.473 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.1 tp -51.49 -43.09 62.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.282 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -52.09 -45.16 64.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.195 -179.646 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.882 -179.863 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.463 0.219 0 CA-C-O 120.538 0.209 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.5 -4.75 57.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.666 0.269 . . . . 0.0 110.534 179.188 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -108.04 -19.88 13.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.94 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.478 ' CG2' ' O ' ' A' ' 22' ' ' ILE . 7.8 mm -85.11 5.67 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-O 121.09 0.471 . . . . 0.0 110.311 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.471 ' O ' ' CD1' ' A' ' 24' ' ' TYR . . . -105.5 -0.41 40.25 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 120.98 -0.628 . . . . 0.0 111.852 179.76 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 23' ' ' GLY . 3.8 m-85 -140.36 -44.79 0.41 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 117.346 0.573 . . . . 0.0 111.071 -179.617 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.22 -5.29 53.96 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.858 0.361 . . . . 0.0 110.037 178.619 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.463 ' HB3' ' O ' ' A' ' 22' ' ' ILE . 1.4 t-105 -90.89 -52.84 4.66 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.168 -179.753 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.28 -52.9 62.79 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.14 -179.327 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -33.07 39.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.729 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.4 ' HB ' ' O ' ' A' ' 26' ' ' TRP . 0.9 OUTLIER -65.8 -37.17 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.637 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.3 t -64.1 -28.63 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.23 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.2 t -77.79 -26.09 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-O 120.992 0.425 . . . . 0.0 110.401 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.478 HD11 HG22 ' A' ' 32' ' ' ILE . 73.5 mt -85.36 -26.18 6.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.144 179.776 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.5 t -75.62 -30.15 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.06 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.05 -58.89 4.52 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.63 -28.45 3.51 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.256 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.4 m -67.9 -41.68 82.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.548 179.032 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 52.2 mt -59.7 -30.67 45.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.793 179.651 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.54 -67.37 2.04 Favored Glycine 0 N--CA 1.458 0.164 0 N-CA-C 110.734 -0.947 . . . . 0.0 110.734 179.741 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.3 mt -52.08 -39.32 26.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.69 -0.255 . . . . 0.0 110.467 -179.747 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -46.32 82.46 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.785 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.6 mt -54.47 -32.31 57.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.921 179.693 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -68.08 -53.53 24.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.622 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -15.04 56.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.071 -179.409 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.17 -35.2 15.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.701 0.286 . . . . 0.0 110.606 -179.282 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 . . . . . 0 C--N 1.331 -0.226 0 CA-C-O 120.81 0.338 . . . . 0.0 110.525 179.837 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.648 0.261 . . . . 0.0 111.467 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -43.25 -89.08 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.686 -179.001 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.02 -25.33 66.83 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.665 0.269 . . . . 0.0 110.885 -179.303 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.401 ' O ' ' CB ' ' A' ' 15' ' ' GLN . 2.7 t80 -67.48 -27.83 67.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.852 0.358 . . . . 0.0 110.159 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -86.77 -32.36 20.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.476 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.74 -36.93 19.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.594 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.4 tp -78.0 -39.35 42.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.753 -179.403 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.401 ' CB ' ' O ' ' A' ' 11' ' ' PHE . 28.9 tt0 -61.19 -36.88 81.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.933 0.397 . . . . 0.0 110.391 -179.773 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.05 -179.934 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.8 p . . . . . 0 N--CA 1.462 0.126 0 CA-C-O 120.269 0.08 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.94 -8.59 53.88 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.599 0.237 . . . . 0.0 111.026 179.888 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -111.23 -13.23 14.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.305 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.453 ' O ' ' HB3' ' A' ' 26' ' ' TRP . 8.2 mt -88.7 3.02 5.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-O 120.985 0.421 . . . . 0.0 110.643 179.748 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' O ' ' CD1' ' A' ' 24' ' ' TYR . . . -105.9 -2.22 39.52 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.785 179.843 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.475 ' CD1' ' O ' ' A' ' 23' ' ' GLY . 1.3 m-85 -142.17 -45.73 0.34 Allowed 'General case' 0 C--O 1.231 0.093 0 CA-C-N 117.294 0.547 . . . . 0.0 110.55 -179.792 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.86 -7.19 53.91 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 178.226 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.453 ' HB3' ' O ' ' A' ' 22' ' ' ILE . 1.3 t-105 -90.87 -57.63 2.75 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.087 -179.79 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.81 -46.79 77.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.522 -179.235 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.7 tpp -56.91 -33.55 67.06 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.323 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -58.6 -52.35 60.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.86 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.2 t -51.84 -31.77 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.642 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.9 t -76.18 -19.03 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.802 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -88.78 -28.83 5.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.44 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.0 t -81.17 -29.39 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.67 -49.86 4.68 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.72 -29.75 4.8 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.442 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.0 m -69.13 -45.72 69.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.448 179.14 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.437 HG22 HD11 ' A' ' 37' ' ' ILE . 41.2 mt -57.72 -36.5 55.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.378 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.09 -21.31 61.4 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 179.318 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 mm -90.84 -49.25 13.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.561 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.486 ' HE2' ' CA ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -53.06 -41.85 65.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.917 179.549 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 60.1 mt -62.02 -42.11 98.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.267 179.671 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -59.67 -45.49 91.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.656 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.89 -39.11 73.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.749 -179.437 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -49.37 -70.37 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.75 0.31 . . . . 0.0 110.709 -179.192 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.458 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 64.9 m-85 . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.535 -179.02 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 121.225 0.536 . . . . 0.0 112.025 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.15 -73.21 0.39 Allowed 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.68 -179.862 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.13 -53.56 33.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.506 -179.758 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.23 -52.58 34.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.213 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -65.23 -33.62 76.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.911 179.675 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.39 -40.33 90.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.084 179.766 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.1 tp -54.6 -37.05 65.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.524 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -65.11 -28.3 69.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.599 -179.834 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.419 -179.738 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.8 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.738 0.304 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -99.69 -17.23 17.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.083 -179.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -101.52 -20.42 15.1 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.972 -179.706 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.498 ' O ' ' HB3' ' A' ' 26' ' ' TRP . 8.0 mm -80.69 -48.77 19.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 110.519 -0.178 . . . . 0.0 110.519 -179.594 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -37.7 -28.65 0.04 OUTLIER Glycine 0 CA--C 1.529 0.953 0 CA-C-O 120.298 -0.168 . . . . 0.0 113.11 -178.864 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' A' ' 22' ' ' ILE . 7.5 m-85 -107.2 -35.59 6.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 117.232 0.516 . . . . 0.0 111.476 -178.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.81 -12.85 59.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.1 -179.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.498 ' HB3' ' O ' ' A' ' 22' ' ' ILE . 0.8 OUTLIER -90.85 -64.1 1.18 Allowed 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.691 0.282 . . . . 0.0 110.683 -179.744 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.413 ' N ' ' CG ' ' A' ' 26' ' ' TRP . . . -48.49 -48.8 37.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.819 -179.02 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -43.63 85.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.05 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 t -54.9 -51.08 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.996 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 63.8 t -49.95 -32.33 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.863 -179.776 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 35' ' ' ALA . 92.3 t -81.53 -17.59 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -179.915 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 52.3 mt -100.41 -45.75 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.098 -179.615 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.9 t -72.8 -68.08 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.857 -179.031 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.38 -26.98 38.98 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.546 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 31' ' ' VAL . . . -72.78 -22.14 60.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.55 0.214 . . . . 0.0 110.721 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.475 ' CG2' ' N ' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -82.94 -51.93 7.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.973 0.416 . . . . 0.0 110.14 -179.888 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.475 ' N ' ' CG2' ' A' ' 36' ' ' THR . 6.0 mt -51.38 -34.23 14.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.416 -179.7 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.54 -53.91 35.47 Favored Glycine 0 CA--C 1.517 0.182 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.778 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.414 ' CD1' ' O ' ' A' ' 35' ' ' ALA . 4.0 mt -75.47 -35.52 32.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.428 0.156 . . . . 0.0 110.971 -179.199 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.443 ' HE3' ' N ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -63.94 -43.35 96.1 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.711 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 mt -52.4 -24.33 7.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.286 179.662 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -83.23 -53.04 6.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.641 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -55.62 -26.15 42.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.877 0.37 . . . . 0.0 110.645 -179.805 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.452 ' CE ' ' HA ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -58.91 -75.41 0.05 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.715 -179.224 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.426 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 57.0 m-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 120.613 0.244 . . . . 0.0 111.44 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -67.91 63.64 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.813 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -106.42 112.78 3.93 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -110.75 18.57 19.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.568 0.223 . . . . 0.0 110.924 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 4.9 t70 47.83 94.18 0.05 OUTLIER Pre-proline 0 C--N 1.332 -0.166 0 CA-C-O 120.714 0.292 . . . . 0.0 110.649 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -86.42 14.21 2.51 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.897 2.398 . . . . 0.0 112.458 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.75 -85.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.773 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.16 -36.01 25.08 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.719 0.295 . . . . 0.0 110.837 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 5' ' ' ASP . . . -51.43 -62.29 1.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.682 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.39 -46.33 18.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.99 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -63.39 -39.64 95.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.492 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -73.47 -26.66 61.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.437 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.75 -20.89 62.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mt -84.18 -43.33 15.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.089 0.471 . . . . 0.0 110.294 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -69.68 -25.23 63.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.871 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.79 -2.0 21.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.384 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 t -93.24 42.38 1.1 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.909 0.385 . . . . 0.0 110.23 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.36 69.62 1.46 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.289 0.566 . . . . 0.0 109.627 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.2 t -65.58 -6.89 12.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.943 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -89.62 -8.42 52.58 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.619 0.247 . . . . 0.0 110.938 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -112.04 -12.68 13.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.266 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.3 mm -91.29 78.16 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 CA-C-O 121.115 0.483 . . . . 0.0 109.753 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.7 -58.11 0.1 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -69.0 -26.03 64.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.738 0.304 . . . . 0.0 110.337 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.34 -31.72 70.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.447 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -66.54 -41.13 89.19 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.51 -36.07 81.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.944 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.56 -37.51 85.11 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.476 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.3 t -59.64 -44.94 94.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.043 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.13 -34.31 56.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.126 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.413 ' O ' ' CB ' ' A' ' 35' ' ' ALA . 72.1 t -72.65 -13.38 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.807 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.9 mt -91.19 -47.98 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.415 ' O ' HG23 ' A' ' 36' ' ' THR . 6.0 t -81.54 -61.4 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.73 -26.4 5.5 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 31' ' ' VAL . . . -70.09 -23.99 63.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.66 0.266 . . . . 0.0 110.581 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.458 ' CG2' ' N ' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -82.1 -48.62 11.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.828 0.347 . . . . 0.0 110.217 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.458 ' N ' ' CG2' ' A' ' 36' ' ' THR . 47.5 mt -48.22 -34.32 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.548 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.63 -64.16 3.76 Favored Glycine 0 N--CA 1.459 0.184 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 mt -62.01 -33.59 59.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.634 0.254 . . . . 0.0 110.58 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -49.59 74.06 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.022 0.439 . . . . 0.0 109.96 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.6 mt -58.38 -27.68 64.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.548 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -71.13 -43.55 67.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.025 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 47' ' ' SER . 3.3 mmtp -62.25 -38.77 90.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.141 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.457 ' HE2' ' N ' ' A' ' 45' ' ' PHE . 1.1 tmmm? -60.49 -50.64 72.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.693 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.457 ' N ' ' HE2' ' A' ' 44' ' ' LYS . 8.4 m-85 -71.1 -25.77 62.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.947 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.2 p -96.21 -6.09 38.95 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 43' ' ' LYS . 57.8 m -111.54 9.78 21.23 Favored 'General case' 0 C--N 1.332 -0.178 0 O-C-N 122.402 -0.186 . . . . 0.0 111.166 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -62.54 -57.94 9.34 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.767 0.318 . . . . 0.0 110.662 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 48.87 52.11 14.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.6 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.391 -0.814 . . . . 0.0 110.481 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -49.61 123.59 8.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.597 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.53 95.17 0.18 Allowed Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -158.77 -67.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.999 0.428 . . . . 0.0 110.39 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -179.65 79.51 0.2 Allowed Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.281 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -87.93 11.62 3.09 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.944 2.43 . . . . 0.0 112.126 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -100.29 16.53 24.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.779 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.1 -31.53 70.12 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.863 0.364 . . . . 0.0 110.349 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.68 -50.46 15.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.231 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.63 -27.58 68.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.24 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -74.5 -45.36 46.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.338 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -73.37 -22.16 60.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.653 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.07 -32.92 21.13 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.825 0.345 . . . . 0.0 110.375 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.4 tp -53.67 -40.18 65.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.064 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -62.45 -38.29 89.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.513 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.89 17.35 7.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 p -110.87 37.9 2.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.271 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.17 47.89 1.29 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.258 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.6 p -97.81 26.78 4.86 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.29 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.486 ' O ' ' CZ ' ' A' ' 24' ' ' TYR . 0.7 OUTLIER -85.69 -10.2 56.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.973 179.802 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -110.45 -21.6 12.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.308 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.453 HD11 HG21 ' A' ' 22' ' ' ILE . 8.5 mm -89.93 -5.45 10.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 116.91 -0.132 . . . . 0.0 111.052 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.99 -25.08 53.65 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.498 ' CD1' ' N ' ' A' ' 24' ' ' TYR . 1.6 m-30 -77.22 -28.45 53.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.708 0.289 . . . . 0.0 110.347 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.53 -15.25 60.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.905 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.477 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 5.8 m95 -84.53 -53.45 5.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.871 0.367 . . . . 0.0 110.838 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.07 -34.09 3.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.416 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.4 mmt -74.16 -40.47 62.56 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.477 HG12 ' CZ3' ' A' ' 26' ' ' TRP . 0.5 OUTLIER -49.6 -51.3 15.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.752 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 66.2 t -50.58 -35.7 13.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.383 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.3 t -78.48 -26.7 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.262 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.459 HG23 HD11 ' A' ' 32' ' ' ILE . 60.5 mt -83.42 -23.67 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.211 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 83.9 t -66.29 -34.39 69.86 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.1 -44.54 66.29 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.6 -25.87 4.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.873 0.368 . . . . 0.0 110.074 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.1 m -78.3 -43.9 26.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.226 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.4 mt -58.02 -23.14 20.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.622 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.38 -22.8 61.92 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mm -91.29 -37.81 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -51.55 67.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.625 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.7 mt -56.79 -30.38 63.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.076 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -71.87 -26.88 62.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.663 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.6 14.95 10.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.458 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.59 -51.9 2.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.876 0.37 . . . . 0.0 110.464 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -59.5 -27.06 65.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.453 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.5 p -92.29 -21.62 20.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.8 p -68.27 -24.92 64.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.32 . . . . 0.0 110.382 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -51.21 -46.53 62.25 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.536 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -39.47 111.13 0.17 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.491 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.508 -0.758 . . . . 0.0 110.437 179.924 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 174.34 50.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.36 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 59.81 108.87 0.01 OUTLIER Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.93 -62.7 1.27 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.922 0.391 . . . . 0.0 110.218 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -51.39 147.45 10.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.254 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -84.52 13.43 2.75 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.865 2.377 . . . . 0.0 112.848 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.29 -24.78 12.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.771 0.32 . . . . 0.0 110.45 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -51.14 -25.34 5.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.462 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.22 -68.53 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.568 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.82 -50.24 26.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.968 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -56.87 -38.91 73.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -74.33 -23.51 59.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 110.767 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.27 -21.9 62.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.299 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mt -88.88 -43.28 11.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.968 0.413 . . . . 0.0 110.602 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -74.52 -31.78 62.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.514 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.05 17.94 14.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.953 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 t -151.43 27.11 0.67 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.673 0.273 . . . . 0.0 110.803 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.0 -56.83 2.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.872 0.367 . . . . 0.0 110.402 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 t -97.63 30.57 2.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.643 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -81.88 -18.25 44.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -102.39 -22.08 14.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.056 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.455 HG21 HD11 ' A' ' 22' ' ' ILE . 8.3 mm -90.45 -4.16 10.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.07 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.03 -19.65 79.8 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -83.06 -24.3 32.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.747 0.308 . . . . 0.0 110.66 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.69 -19.36 61.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.033 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -70.3 -25.36 63.29 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.698 0.285 . . . . 0.0 110.627 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.25 -53.71 18.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.55 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -32.1 70.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.191 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 32' ' ' ILE . 98.6 t -69.19 -50.7 50.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.217 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.437 HG11 ' N ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -49.52 -29.37 4.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.488 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.437 ' N ' HG11 ' A' ' 30' ' ' VAL . 85.3 t -76.87 -27.02 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.277 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' VAL . 70.7 mt -84.84 -21.55 7.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.372 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.0 t -74.1 -25.76 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 37' ' ' ILE . . . -72.83 -54.81 6.92 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.99 -29.3 3.34 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.159 0.504 . . . . 0.0 109.791 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.3 m -68.66 -41.85 78.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.388 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 34' ' ' GLY . 48.4 mt -62.85 -38.76 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.862 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.87 -63.73 4.99 Favored Glycine 0 C--N 1.329 0.146 0 N-CA-C 110.696 -0.962 . . . . 0.0 110.696 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.3 mt -58.33 -44.82 89.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.634 -0.283 . . . . 0.0 110.59 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -39.85 65.3 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 120.869 0.366 . . . . 0.0 110.25 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.1 mt -63.81 -50.79 67.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.13 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -43.7 -33.09 1.14 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.874 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -84.82 -58.04 2.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.077 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.411 ' O ' ' NZ ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -50.91 -33.43 24.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.173 -179.331 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -49.77 -40.31 40.86 Favored 'General case' 0 C--O 1.231 0.109 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.8 p -79.53 -24.16 42.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.5 m -91.86 17.28 9.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -51.69 -60.79 2.76 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.714 0.293 . . . . 0.0 110.518 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 68.27 124.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.507 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.527 -0.749 . . . . 0.0 110.404 179.865 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 120.753 0.311 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 67.39 119.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.546 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.94 22.06 0.89 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -145.52 79.05 1.56 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.802 0.334 . . . . 0.0 110.107 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -46.37 101.92 0.28 Allowed Pre-proline 0 N--CA 1.463 0.176 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -87.15 14.02 2.53 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.902 2.401 . . . . 0.0 112.391 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.15 21.98 5.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.851 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -63.01 -29.13 70.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.841 0.353 . . . . 0.0 110.227 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.94 -44.25 86.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.188 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.52 -41.38 73.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.523 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -70.33 -46.14 64.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.346 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -67.31 -39.07 85.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.879 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.47 -28.07 64.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.491 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.5 tp -72.51 -38.82 68.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.777 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -76.67 -30.97 56.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.992 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.15 16.68 5.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.485 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.08 -54.41 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.375 . . . . 0.0 110.299 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.66 63.81 1.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.369 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.1 p -68.26 -12.71 61.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.999 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.499 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 0.5 OUTLIER -82.29 1.67 35.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.563 0.22 . . . . 0.0 110.548 179.234 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' ALA . 11.9 m-85 -106.92 17.26 23.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.71 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.45 HD11 HG22 ' A' ' 22' ' ' ILE . 8.2 mm -80.75 -43.48 21.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.828 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.99 2.09 78.9 Favored Glycine 0 CA--C 1.528 0.844 0 C-N-CA 121.217 -0.516 . . . . 0.0 112.877 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.499 ' CD2' ' O ' ' A' ' 20' ' ' GLU . 2.6 m-85 -124.69 -39.52 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 117.595 0.697 . . . . 0.0 111.863 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 21' ' ' TYR . . . -65.8 -16.83 64.17 Favored 'General case' 0 C--N 1.333 -0.147 0 O-C-N 122.339 -0.226 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -77.44 -29.36 52.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.761 0.315 . . . . 0.0 110.425 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.34 -24.91 63.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.259 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.4 mmm -83.55 -37.65 22.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.322 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.416 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 69.7 t -57.25 -34.7 46.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.136 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.05 -36.44 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.405 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.7 t -77.12 -18.78 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.949 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.1 mt -95.7 -29.69 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.325 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 29' ' ' VAL . 53.4 t -60.45 -32.88 52.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-O 120.665 0.269 . . . . 0.0 110.358 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.82 -53.82 6.95 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.8 -31.34 2.96 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.165 0.507 . . . . 0.0 109.84 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.4 m -64.48 -43.68 93.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.554 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.4 mt -61.88 -26.82 40.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.089 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.25 -59.42 6.32 Favored Glycine 0 CA--C 1.517 0.194 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.6 mt -61.41 -43.04 96.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.53 -0.335 . . . . 0.0 110.857 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -40.96 74.85 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.793 0.33 . . . . 0.0 110.636 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.6 mt -55.4 -25.87 38.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.631 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -80.72 -54.33 5.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.646 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -15.91 41.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.942 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.74 -43.05 15.89 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.575 0.226 . . . . 0.0 110.882 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -76.72 -30.89 56.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.838 0.351 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.8 p -84.88 -11.01 56.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.386 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 m -86.18 -35.54 20.04 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.935 0.398 . . . . 0.0 110.198 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.0 mmtm -46.75 -32.36 3.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.095 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -39.12 -61.96 0.7 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.721 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.488 -0.768 . . . . 0.0 110.642 -179.821 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -49.4 113.0 0.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.708 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.52 147.98 38.03 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -89.1 -52.26 5.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.967 0.413 . . . . 0.0 110.64 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.1 t70 63.2 140.11 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.343 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -85.81 -24.22 1.87 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.858 2.372 . . . . 0.0 112.077 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.78 -55.36 7.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.638 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -69.5 -27.05 64.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.562 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.63 -67.25 0.22 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.538 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.02 -51.82 68.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.486 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -51.42 -35.97 41.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -73.1 -39.06 66.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.513 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.34 -27.96 50.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.32 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.1 tp -76.07 -32.67 59.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.487 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -82.01 -27.71 32.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.854 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.26 10.42 14.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.152 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.93 -39.99 4.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.753 0.311 . . . . 0.0 110.446 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -96.18 49.92 1.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.535 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.6 p -98.35 24.18 7.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.339 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.41 -0.05 41.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.227 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -114.82 -8.43 12.58 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.3 mm -91.09 -46.04 14.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.03 -18.62 41.67 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.807 -0.517 . . . . 0.0 111.807 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -89.78 -24.71 21.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.023 0.412 . . . . 0.0 110.554 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.8 -12.2 60.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.517 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -79.09 -40.62 30.71 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-O 120.897 0.38 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.34 -30.08 70.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.523 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.0 mmt -76.31 -24.74 54.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.16 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.7 t -78.39 -31.45 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.212 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 34' ' ' GLY . 85.7 t -73.47 -38.63 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.356 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.5 t -68.13 -21.86 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-O 120.91 0.386 . . . . 0.0 110.783 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.2 mt -94.36 -54.36 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.362 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 78.9 t -72.92 -24.49 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.195 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -65.03 -41.3 97.29 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.408 ' O ' HG12 ' A' ' 39' ' ' ILE . . . -51.18 -29.35 13.61 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.8 m -77.24 -51.41 10.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.893 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.8 mt -53.61 -27.32 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.58 -25.88 74.26 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 35' ' ' ALA . 2.5 mm -91.5 -45.0 14.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.087 0.47 . . . . 0.0 109.837 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -30.62 54.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.83 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.6 mt -68.0 -51.29 48.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.115 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -52.94 -51.35 61.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.482 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -14.65 53.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.177 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.61 -54.73 5.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.741 0.305 . . . . 0.0 110.88 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -61.94 -34.45 76.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.5 p -84.51 6.34 24.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.537 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 55.0 p -126.16 18.36 7.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.46 0.171 . . . . 0.0 111.053 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.409 ' HA ' ' HE2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -59.96 -54.93 40.25 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.701 0.286 . . . . 0.0 110.391 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.25 129.3 27.64 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.407 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.491 -0.766 . . . . 0.0 110.473 -179.956 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 176.01 130.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.32 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.27 -178.69 37.45 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -107.86 44.05 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.328 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -176.35 79.48 0.27 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.455 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.451 ' O ' ' CB ' ' A' ' 7' ' ' ALA . 49.8 Cg_endo -84.81 -4.97 9.86 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.891 2.394 . . . . 0.0 112.709 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 6' ' ' PRO . . . 85.96 -48.98 0.07 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.939 0.495 . . . . 0.0 110.132 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 9' ' ' ALA . 6.4 ptmm? -63.81 -39.05 93.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.136 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.416 ' N ' ' HG3' ' A' ' 8' ' ' LYS . . . -64.27 -30.93 71.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.933 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.2 -47.32 62.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.918 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -63.12 -32.39 73.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.994 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -82.1 -23.83 35.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.331 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -23.94 67.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.439 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 mt -75.89 -40.45 54.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.08 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -80.4 -29.59 37.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.555 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.01 14.72 8.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.24 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.7 t -96.67 28.01 3.62 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.881 0.372 . . . . 0.0 110.251 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.47 64.5 1.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.272 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.8 p -74.26 -3.84 32.47 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.147 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -76.01 -9.78 58.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.703 0.287 . . . . 0.0 111.178 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -102.04 -23.42 14.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.64 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.468 HD11 HG22 ' A' ' 22' ' ' ILE . 9.4 mm -86.84 -14.45 10.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.855 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.76 -31.3 75.1 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -53.63 -27.54 27.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.86 0.362 . . . . 0.0 110.262 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.411 ' O ' ' CG2' ' A' ' 29' ' ' VAL . . . -86.0 -27.18 25.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -56.61 -32.28 65.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.227 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.27 -47.82 39.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.726 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.6 tpp -66.19 -38.43 88.0 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.254 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.411 ' CG2' ' O ' ' A' ' 25' ' ' ALA . 59.7 t -55.68 -30.67 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.0 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.7 t -69.95 -30.82 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.04 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.4 t -80.15 -15.26 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.819 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 42.8 mt -84.71 -26.06 6.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.304 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.409 ' O ' HG23 ' A' ' 36' ' ' THR . 47.6 t -69.41 -59.68 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.56 -26.09 7.13 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.36 -26.49 66.5 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.497 ' CG2' ' N ' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -76.04 -54.08 7.38 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.731 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.497 ' N ' ' CG2' ' A' ' 36' ' ' THR . 44.8 mt -47.95 -25.9 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.99 -60.11 3.22 Favored Glycine 0 CA--C 1.519 0.327 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.4 mt -67.84 -24.11 30.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.64 0.257 . . . . 0.0 110.826 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -71.33 -44.28 65.41 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.596 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.3 mt -63.14 -35.19 79.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.737 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -63.43 -44.56 94.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.95 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -38.29 71.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.781 -178.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.431 ' O ' ' NZ ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -77.72 -52.2 9.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.51 0.195 . . . . 0.0 110.902 -178.863 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -57.92 -41.15 82.11 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.64 0.257 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.0 p -84.42 -8.57 58.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.252 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 t -75.18 -21.14 58.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.528 0.204 . . . . 0.0 110.581 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -41.6 -57.9 2.12 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.764 0.316 . . . . 0.0 111.206 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 70.7 174.26 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.132 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.1 m . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.528 -0.748 . . . . 0.0 110.468 -179.87 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 120.811 0.339 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 174.76 46.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 175.24 115.03 0.39 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -130.35 -68.01 0.71 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.88 0.371 . . . . 0.0 110.56 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -169.77 116.29 0.52 Allowed Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.286 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -86.56 12.28 3.05 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.751 2.301 . . . . 0.0 112.306 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.63 -21.18 22.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.72 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.45 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -71.73 -30.47 65.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.374 . . . . 0.0 110.32 -179.856 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.45 -27.66 0.76 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.979 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.1 -50.17 6.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.364 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -53.29 -34.92 59.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.387 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -72.99 -32.76 65.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.332 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -21.86 40.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.298 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 mt -85.99 -44.12 12.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.367 . . . . 0.0 110.865 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -67.63 -36.29 80.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.708 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.7 -21.9 20.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.603 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 p -64.84 -15.06 61.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.96 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.3 -13.83 52.32 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.188 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.5 p -94.83 37.73 1.13 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.866 0.365 . . . . 0.0 110.449 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -83.65 -3.59 57.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.594 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -107.72 -18.09 13.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.445 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.3 mm -88.68 -6.5 10.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 121.28 -0.168 . . . . 0.0 111.268 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.52 -41.48 36.15 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -70.84 -31.16 67.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.771 0.319 . . . . 0.0 110.456 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.59 -24.03 65.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.418 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -61.53 -37.15 82.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.302 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.33 -50.14 55.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.263 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -43.01 86.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.041 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.1 t -52.37 -29.16 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.277 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.7 t -78.75 -35.88 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.245 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.1 t -70.8 -25.39 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.371 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 56.0 mt -79.18 -22.43 12.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.274 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.5 t -84.92 -35.2 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.92 -56.11 11.88 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.423 ' O ' ' CD1' ' A' ' 39' ' ' ILE . . . -48.83 -29.05 4.18 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.078 0.466 . . . . 0.0 109.871 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.9 m -73.4 -49.15 28.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.093 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 82.9 mt -64.52 -27.04 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.397 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.51 -54.8 24.05 Favored Glycine 0 N--CA 1.459 0.199 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.423 ' CD1' ' O ' ' A' ' 35' ' ' ALA . 4.4 mt -68.73 -46.71 79.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.515 -0.343 . . . . 0.0 110.687 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -43.33 65.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 0.0 110.404 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.0 mt -60.81 -30.12 69.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.933 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -71.23 -53.61 13.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.173 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.32 -18.52 11.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.38 -0.373 . . . . 0.0 112.0 -179.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.452 ' CE ' ' HA ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -90.63 -56.47 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.706 0.288 . . . . 0.0 110.96 -179.442 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -62.73 -36.82 84.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.77 0.319 . . . . 0.0 111.04 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.7 p -86.9 11.08 14.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.321 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.23 40.01 0.21 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.775 0.321 . . . . 0.0 110.827 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -50.9 -54.24 25.76 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.838 0.351 . . . . 0.0 110.279 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 53.63 87.89 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.263 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.394 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 66.76 99.18 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.36 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 60.94 144.68 0.01 OUTLIER Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.43 -24.23 59.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.727 0.298 . . . . 0.0 110.401 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -42.62 99.47 0.21 Allowed Pre-proline 0 N--CA 1.465 0.277 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -87.76 -20.36 2.0 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.986 2.457 . . . . 0.0 112.292 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.39 -18.02 47.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.064 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 9' ' ' ALA . 7.5 ptmm? -41.39 -33.24 0.39 Allowed 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.778 0.323 . . . . 0.0 111.148 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.417 ' N ' ' HG3' ' A' ' 8' ' ' LYS . . . -74.4 -64.14 1.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.321 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.417 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -56.8 -30.28 63.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.551 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.93 -43.96 94.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.915 0.388 . . . . 0.0 110.367 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -74.31 -41.05 61.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.03 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.95 -36.08 64.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.028 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.417 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 16.3 tp -69.63 -41.26 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.697 0.284 . . . . 0.0 110.645 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -53.33 -36.22 61.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.59 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.9 -14.12 61.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.26 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.3 p -106.18 -31.68 8.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.765 0.316 . . . . 0.0 110.572 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.34 66.39 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.996 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.2 t -69.81 -4.46 20.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.789 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -80.52 -0.31 36.97 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.707 0.289 . . . . 0.0 110.583 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -101.06 -0.55 36.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.383 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.5 mt -90.26 79.13 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.255 0 CA-C-O 121.325 0.583 . . . . 0.0 109.558 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.14 -44.77 0.4 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.28 -1.128 . . . . 0.0 110.28 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -92.95 -32.26 14.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.25 -26.59 67.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.341 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -63.58 -46.56 85.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.062 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.41 -29.01 68.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.371 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.5 mmm -84.77 -43.4 14.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.197 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.404 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 62.1 t -52.6 -43.14 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.422 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.3 t -61.34 -40.9 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.275 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.4 t -72.86 -12.05 15.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.59 -179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.403 HD12 HG22 ' A' ' 32' ' ' ILE . 41.6 mt -98.82 -38.85 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.474 0.178 . . . . 0.0 111.316 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 29' ' ' VAL . 20.3 t -46.26 -40.35 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 120.658 0.266 . . . . 0.0 111.295 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -89.5 -56.19 1.93 Allowed Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.02 -29.35 4.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.077 0.465 . . . . 0.0 109.749 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 16.9 m -65.07 -49.44 70.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.512 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 55.9 mt -59.79 -36.19 64.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.418 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.89 -70.03 1.14 Allowed Glycine 0 N--CA 1.459 0.215 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.0 mt -49.34 -35.44 8.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.607 -0.297 . . . . 0.0 110.911 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -60.76 -54.65 42.56 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.932 0.396 . . . . 0.0 110.083 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.7 mt -51.84 -27.62 13.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.772 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.503 ' CE2' ' CG2' ' A' ' 46' ' ' THR . 16.6 t80 -71.12 -50.52 32.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.096 -179.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -19.37 16.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.156 -0.474 . . . . 0.0 112.276 -178.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.92 -40.81 18.1 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 120.71 0.29 . . . . 0.0 110.874 -179.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -83.64 -41.56 17.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.321 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.503 ' CG2' ' CE2' ' A' ' 42' ' ' PHE . 46.4 p -83.77 -43.59 15.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.0 0.429 . . . . 0.0 110.233 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.67 52.44 0.73 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -50.58 -48.47 57.63 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.499 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.59 -38.96 33.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.609 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.9 p . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.478 -0.772 . . . . 0.0 110.446 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -50.38 121.2 5.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.626 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 49.01 -161.56 0.63 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.49 -73.8 0.68 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.943 0.401 . . . . 0.0 110.473 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.7 t0 62.1 120.93 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.121 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -81.93 -38.86 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.389 2.06 . . . . 0.0 112.215 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 41.92 30.4 0.17 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.984 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.82 74.59 0.06 Allowed 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.42 0.688 . . . . 0.0 111.85 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.35 -73.44 0.12 Allowed 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.528 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.42 -28.67 55.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.535 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -49.89 18.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.567 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -64.31 -26.59 68.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.324 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -29.34 67.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.973 0.416 . . . . 0.0 110.085 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -73.66 -38.23 65.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.543 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -71.65 -34.78 70.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.748 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.09 -24.42 6.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 t -72.73 -13.69 61.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -94.76 63.8 2.86 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.193 0.52 . . . . 0.0 109.966 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.2 p -81.22 3.39 23.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -96.18 0.41 51.13 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 120.557 0.218 . . . . 0.0 111.207 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -106.51 2.75 26.46 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.9 mt -91.1 76.55 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.222 0.534 . . . . 0.0 109.669 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.35 -45.31 0.35 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.46 -1.056 . . . . 0.0 110.46 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -84.51 -33.57 23.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.336 . . . . 0.0 110.275 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.87 -21.46 66.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.495 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -68.14 -37.08 80.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.249 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.4 -32.93 51.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.48 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 mmt -80.86 -51.62 8.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.139 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.9 t -49.98 -25.59 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.481 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.1 t -79.91 -37.02 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.015 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.7 t -75.72 -19.94 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.703 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 38.6 mt -90.72 -40.07 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.049 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.401 ' O ' HG21 ' A' ' 36' ' ' THR . 55.7 t -72.4 -53.08 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.87 -26.73 5.93 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.53 -23.95 64.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.632 0.254 . . . . 0.0 110.525 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.421 ' CG2' ' N ' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -82.64 -46.6 13.05 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.421 ' N ' ' CG2' ' A' ' 36' ' ' THR . 56.1 mt -51.38 -30.69 10.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.979 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.87 -68.75 1.54 Allowed Glycine 0 C--N 1.329 0.147 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.3 mt -57.9 -34.45 48.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.728 0.299 . . . . 0.0 110.458 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -50.96 69.28 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.905 0.384 . . . . 0.0 110.016 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.4 mt -55.22 -23.47 22.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.363 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -75.76 -31.61 59.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -83.02 -14.05 54.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.403 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.27 -55.23 4.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.828 0.347 . . . . 0.0 110.725 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -57.03 -25.59 58.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.663 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.8 p -91.2 -20.1 22.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.041 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.6 t -70.79 -24.22 62.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.737 0.303 . . . . 0.0 110.408 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -44.98 -28.55 0.69 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.158 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.24 -62.89 0.68 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.459 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.474 -0.774 . . . . 0.0 110.439 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 120.782 0.325 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 52.6 53.21 12.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.389 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.52 -104.66 0.03 OUTLIER Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -68.5 63.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.853 0.358 . . . . 0.0 110.731 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -56.19 124.25 59.01 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.26 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -82.51 -12.53 10.13 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.531 2.154 . . . . 0.0 112.66 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.63 -25.89 12.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.709 0.29 . . . . 0.0 110.706 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 mtpp -61.28 -25.14 66.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.644 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.23 -78.65 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.594 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.65 -54.66 11.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.99 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -50.69 -37.54 41.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.419 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -71.59 -35.94 70.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.356 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.63 -29.57 70.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.756 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.6 tp -78.32 -31.13 48.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.796 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -92.66 -37.27 12.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.765 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.55 -6.34 40.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.306 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 m -73.84 -48.07 33.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.777 0.322 . . . . 0.0 110.572 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.45 29.91 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.739 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.421 ' CG2' ' O ' ' A' ' 19' ' ' THR . 64.5 m -98.99 34.33 2.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.075 0.464 . . . . 0.0 110.315 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.31 -14.84 34.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.269 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -104.39 -22.21 13.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.624 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 mm -80.27 -21.54 11.65 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.229 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.9 -12.56 57.51 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -71.98 -34.79 69.22 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.68 -26.07 63.27 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 178.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -62.52 -30.89 71.62 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.897 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.91 -28.57 65.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.08 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 mmt -85.94 -45.75 11.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.859 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.0 t -53.26 -41.79 44.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.357 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.0 p -59.86 -31.93 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.982 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.5 t -77.44 -25.65 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.687 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.7 mt -88.04 -37.22 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.011 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.0 t -83.07 -26.65 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.48 -39.25 69.21 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.43 -32.45 49.83 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.7 m -67.34 -48.12 68.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.227 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.3 mt -55.42 -31.04 26.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.49 -20.66 73.9 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.3 mm -91.05 -45.57 14.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.427 ' HE3' ' CA ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -56.95 -46.66 81.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.481 179.04 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.6 mt -55.76 -35.92 66.75 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.499 ' CD1' ' HA ' ' A' ' 46' ' ' THR . 0.5 OUTLIER -67.38 -50.69 58.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.848 179.533 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -15.09 42.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.321 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.34 -59.41 1.76 Allowed 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.411 ' C ' ' CG2' ' A' ' 46' ' ' THR . 5.3 m-85 -83.69 -34.06 25.03 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 120.662 0.268 . . . . 0.0 110.745 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.499 ' HA ' ' CD1' ' A' ' 42' ' ' PHE . 0.9 OUTLIER 40.37 59.64 2.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.951 0.405 . . . . 0.0 111.565 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 p 49.03 24.85 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.303 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -47.05 -55.57 8.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.843 0.354 . . . . 0.0 110.593 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.54 156.23 0.06 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.7 p . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.439 -0.791 . . . . 0.0 110.531 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 177.94 42.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.383 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -103.75 128.13 9.39 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.68 -34.19 72.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.337 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 45.5 t0 179.5 84.35 0.18 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.393 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 7' ' ' ALA . 47.8 Cg_endo -81.4 -17.52 8.86 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.732 2.288 . . . . 0.0 112.38 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 6' ' ' PRO . . . 85.78 -48.22 0.07 Allowed 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.021 0.528 . . . . 0.0 110.296 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -32.34 73.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.426 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.12 -73.2 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.717 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.17 -33.54 3.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.938 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.67 -39.41 62.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.523 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -74.66 -27.48 60.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.56 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.35 -29.86 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.29 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.3 tp -70.53 -42.48 71.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.382 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -68.42 -35.26 77.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.594 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.33 -6.18 44.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.085 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 m -118.91 55.54 0.92 Allowed 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.14 59.47 3.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.334 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.0 t -91.26 23.22 3.43 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.119 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -85.51 0.0 53.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.018 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -100.55 -21.49 15.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.969 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.489 HD11 HG22 ' A' ' 22' ' ' ILE . 3.5 mm -83.95 -30.42 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.379 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -46.51 -28.83 3.64 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -73.95 -22.11 59.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.674 0.273 . . . . 0.0 111.13 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.94 -9.35 58.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.42 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -82.98 -42.62 17.36 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.788 0.328 . . . . 0.0 110.57 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.85 -26.43 35.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.551 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.8 mmm -84.97 -34.39 22.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.2 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.1 t -74.4 -31.54 28.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.179 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.2 t -69.95 -42.05 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.038 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.8 t -64.76 -21.68 29.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.637 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.2 mt -100.45 -62.63 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.607 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 70.3 t -77.71 -49.02 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.652 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.97 -49.21 59.8 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.81 -26.97 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.925 0.393 . . . . 0.0 110.414 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.1 m -85.99 -55.22 4.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.982 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.6 mt -51.89 -28.16 9.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.14 -21.66 77.13 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 mm -91.0 -48.07 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.434 ' HE3' ' CA ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -53.9 -46.5 71.44 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.898 179.574 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.8 mt -58.18 -28.88 65.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.348 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -74.68 -52.97 10.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.559 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -24.43 64.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.558 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -80.8 -37.5 30.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.737 0.303 . . . . 0.0 110.309 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -87.08 -37.75 17.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.2 p -86.02 -45.59 11.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.544 -178.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.72 35.95 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.108 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -47.68 -64.55 0.76 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.946 0.403 . . . . 0.0 110.563 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 167.46 54.35 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.314 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.542 -0.742 . . . . 0.0 110.365 -179.914 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 120.869 0.366 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 61.94 -179.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.87 150.79 38.79 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -140.07 58.82 1.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.801 0.334 . . . . 0.0 110.3 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -178.85 94.84 0.21 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.393 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -81.78 -22.99 5.0 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.764 2.31 . . . . 0.0 112.203 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 57.33 25.82 11.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.245 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 37.07 81.37 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 123.265 0.626 . . . . 0.0 112.066 179.663 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.62 -44.29 9.13 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.118 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.79 -25.01 48.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.257 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.58 -57.39 3.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.273 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -54.31 -45.84 72.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.206 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.19 -28.47 69.16 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.057 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.416 ' CD1' ' C ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -62.77 -43.6 98.38 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -66.72 -39.07 87.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.152 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.32 15.95 9.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.122 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.2 m -139.61 62.65 1.51 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.803 0.335 . . . . 0.0 110.375 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.34 -1.97 58.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.173 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 t -95.4 27.51 3.32 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.929 0.395 . . . . 0.0 110.593 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -86.49 -18.76 30.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.946 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -90.61 -21.39 21.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.41 HD11 HG22 ' A' ' 22' ' ' ILE . 8.6 mm -87.92 -11.2 10.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.242 -179.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.64 -44.5 63.21 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -70.9 -24.2 62.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.691 0.281 . . . . 0.0 110.389 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.93 -30.35 70.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.24 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.414 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.9 OUTLIER -56.5 -27.01 56.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.287 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.82 -45.92 55.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.37 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -38.61 71.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.392 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.4 t -57.88 -35.71 52.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.433 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.414 ' CG2' ' O ' ' A' ' 26' ' ' TRP . 93.1 t -65.68 -35.88 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.4 t -73.01 -20.0 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.417 HG22 HD11 ' A' ' 32' ' ' ILE . 67.2 mt -93.92 -47.84 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.325 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 70.0 t -68.02 -25.37 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.421 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.5 -53.17 26.15 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.78 -29.04 1.74 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.099 0.476 . . . . 0.0 110.232 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.4 m -73.5 -50.35 21.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.01 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.0 mm -51.88 -36.39 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.861 0.362 . . . . 0.0 110.219 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -53.62 -69.44 1.22 Allowed Glycine 0 C--N 1.329 0.165 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.2 mt -48.65 -44.32 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.445 -0.378 . . . . 0.0 110.664 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -50.6 64.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.798 0.332 . . . . 0.0 110.285 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.5 mt -57.28 -27.14 61.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.52 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.517 ' CE1' ' HA ' ' A' ' 46' ' ' THR . 2.2 t80 -72.61 -43.17 63.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.125 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -59.48 -17.35 30.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.051 -179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.18 -55.08 3.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.565 0.222 . . . . 0.0 110.973 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.409 ' C ' ' CG2' ' A' ' 46' ' ' THR . 5.7 m-85 -81.92 -45.97 14.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.147 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.517 ' HA ' ' CE1' ' A' ' 42' ' ' PHE . 1.0 OUTLIER 38.84 44.49 0.84 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.063 0.459 . . . . 0.0 111.408 179.592 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 p 49.67 66.22 1.19 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.708 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -49.39 -47.87 47.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.657 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.15 -84.73 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.225 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.3 p . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.543 -0.741 . . . . 0.0 110.442 -179.911 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 120.912 0.387 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -49.47 129.79 19.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.55 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -98.46 -16.77 30.9 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.481 -0.648 . . . . 0.0 111.481 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -116.21 75.74 0.98 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.753 0.311 . . . . 0.0 110.535 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -106.6 100.61 31.54 Favored Pre-proline 0 N--CA 1.453 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.484 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -83.74 11.24 3.37 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.738 2.292 . . . . 0.0 112.646 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.49 -24.12 12.19 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.674 0.274 . . . . 0.0 110.685 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -52.77 -35.81 57.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.573 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.37 -68.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.489 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.79 -40.1 62.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.497 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -60.86 -37.75 83.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.311 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -68.7 -37.08 79.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.129 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.15 -27.66 68.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.94 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 17' ' ' SER . 3.1 tp -63.78 -29.96 71.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.274 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -48.86 -25.8 2.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.791 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.43 16.56 6.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 14' ' ' LEU . 3.8 m -165.12 67.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.63 42.12 1.08 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.812 0.339 . . . . 0.0 111.276 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.6 t -95.52 23.42 6.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.454 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.422 ' O ' ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -90.21 2.22 55.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.072 -179.821 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -124.11 -15.74 6.71 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.423 HD11 HG22 ' A' ' 22' ' ' ILE . 13.5 mt -91.61 -41.8 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.63 -60.21 9.16 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.422 ' CE2' ' O ' ' A' ' 20' ' ' GLU . 32.7 m-85 -51.19 -29.78 15.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.579 0.228 . . . . 0.0 110.929 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.4 ' HB1' ' O ' ' A' ' 22' ' ' ILE . . . -59.37 -22.67 61.7 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -81.43 -52.21 7.5 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.144 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.22 -25.44 9.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.142 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.9 mmm -81.25 -37.97 27.69 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.94 -30.42 47.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.014 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.31 -29.74 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.592 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.7 t -82.57 -23.2 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.902 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.5 mt -88.79 -26.14 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.345 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 25.5 t -78.25 -31.36 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.15 -52.46 3.42 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.9 -32.33 14.38 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.2 m -63.92 -41.2 97.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.473 -0.785 . . . . 0.0 108.997 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 58.5 mt -75.88 -26.05 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.901 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.71 -50.12 44.65 Favored Glycine 0 C--N 1.332 0.309 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.8 mt -68.94 -39.72 80.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.513 -0.343 . . . . 0.0 110.746 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.427 ' HE3' ' CA ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -60.81 -37.88 83.5 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 179.596 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.23 -32.83 71.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.239 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.466 ' CD1' ' C ' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -69.18 -56.27 8.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.006 0.431 . . . . 0.0 109.859 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.12 -27.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.983 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.27 -50.69 4.46 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.627 0.251 . . . . 0.0 111.251 -179.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.424 ' C ' ' CG2' ' A' ' 46' ' ' THR . 6.0 m-85 -71.61 -44.67 64.0 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -179.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.428 ' HA ' ' CD1' ' A' ' 42' ' ' PHE . 1.2 t 39.58 34.51 0.15 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.245 0.545 . . . . 0.0 111.329 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 49.24 53.82 12.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.83 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 45' ' ' PHE . 3.0 mtpm? -51.26 -47.36 62.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.277 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.98 160.5 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.025 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.543 -0.741 . . . . 0.0 110.499 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 176.92 110.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.295 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 104.9 -136.92 13.38 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.07 85.1 2.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.847 0.356 . . . . 0.0 110.119 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.1 t0 71.68 123.29 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.102 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -81.41 9.14 4.0 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.483 2.122 . . . . 0.0 112.791 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.26 -58.08 9.48 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.72 0.295 . . . . 0.0 110.507 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.07 -39.63 6.81 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.977 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.66 -84.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.453 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.89 -29.58 1.44 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.283 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.61 -36.81 81.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.798 0.332 . . . . 0.0 110.613 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -79.9 -36.38 36.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.151 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.21 -31.33 55.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.713 0.292 . . . . 0.0 110.626 -179.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.74 -30.7 61.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.7 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -48.43 -31.83 6.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.71 15.41 8.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.323 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.02 69.05 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.97 28.54 2.39 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.869 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 66.9 p -94.84 0.8 55.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.039 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.485 ' O ' ' CE1' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -94.87 -8.95 35.75 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.684 0.278 . . . . 0.0 111.607 -179.736 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -102.38 -17.95 15.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.108 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.3 mm -77.12 -36.31 24.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.15 -10.51 59.56 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.485 ' CE1' ' O ' ' A' ' 20' ' ' GLU . 5.5 m-30 -67.81 -36.41 80.37 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.433 ' O ' ' CG2' ' A' ' 29' ' ' VAL . . . -69.66 -25.07 63.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.085 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -67.41 -45.63 75.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.411 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.418 ' O ' ' CG1' ' A' ' 30' ' ' VAL . . . -63.17 -51.04 67.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.059 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -38.7 70.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' A' ' 25' ' ' ALA . 23.7 t -53.09 -45.49 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.418 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -54.63 -25.33 14.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.775 -179.675 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.9 t -88.45 -19.74 7.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.616 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 25.7 mt -83.94 -34.14 9.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.819 0.342 . . . . 0.0 110.389 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.1 t -56.98 -30.86 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.559 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 37' ' ' ILE . . . -71.24 -54.76 8.54 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.48 -29.45 2.74 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.189 0.518 . . . . 0.0 109.987 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.5 m -70.7 -39.45 73.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.775 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' GLY . 37.9 mt -64.17 -32.46 57.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.228 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.43 -69.85 1.18 Allowed Glycine 0 C--N 1.33 0.195 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.5 mt -49.35 -43.38 16.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.444 -0.378 . . . . 0.0 110.722 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -52.59 63.94 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.903 0.382 . . . . 0.0 110.4 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.2 mt -58.54 -28.33 65.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.751 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.495 ' CD1' ' HA ' ' A' ' 46' ' ' THR . 2.2 t80 -67.62 -43.82 79.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -60.5 -16.1 33.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.559 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.97 -62.31 1.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.465 0.174 . . . . 0.0 110.555 -179.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.408 ' O ' ' CG2' ' A' ' 46' ' ' THR . 5.3 m-85 -83.15 -42.42 17.37 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 121.19 -0.204 . . . . 0.0 110.771 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.495 ' HA ' ' CD1' ' A' ' 42' ' ' PHE . 2.6 t 40.8 31.0 0.11 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.884 0.373 . . . . 0.0 111.208 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.2 t 65.03 53.28 1.4 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.492 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mmtm -46.22 -57.63 4.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.756 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 56.01 72.96 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.329 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.444 -0.789 . . . . 0.0 110.409 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 67.82 46.22 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.56 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 175.26 179.4 45.79 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -147.99 56.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.708 0.29 . . . . 0.0 110.356 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -179.81 99.92 0.19 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.491 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -80.74 -21.39 7.15 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.633 2.222 . . . . 0.0 112.226 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 73.13 4.37 4.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.411 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -122.22 -54.63 1.89 Allowed 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.05 -63.25 1.21 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.286 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.16 -53.78 51.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.204 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -52.28 -34.07 44.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.114 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -74.78 -37.62 62.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.132 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.08 -27.79 68.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.524 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.6 tp -72.66 -30.12 64.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.689 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -89.05 -47.05 8.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.27 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.98 -22.33 14.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.888 0.375 . . . . 0.0 110.698 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.8 m -61.88 -51.08 69.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.103 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.71 -39.29 88.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.985 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.9 t -97.36 28.03 3.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.268 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -84.99 -22.68 29.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -89.29 -24.54 22.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.307 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.485 ' CD1' ' N ' ' A' ' 22' ' ' ILE . 1.1 mp -87.11 -44.0 16.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.256 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -39.15 -33.5 0.27 Allowed Glycine 0 CA--C 1.527 0.841 0 CA-C-N 116.407 -0.36 . . . . 0.0 112.34 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -57.07 -27.78 62.02 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 122.623 -0.339 . . . . 0.0 111.0 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.52 -5.65 41.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.603 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -90.68 -51.58 5.31 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.775 0.321 . . . . 0.0 111.08 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.71 -26.62 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.701 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.8 mmt -77.37 -45.03 27.32 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.9 t -66.41 -26.39 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.336 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.9 t -73.27 -33.28 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.253 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 75.1 t -78.22 -21.82 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.78 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.8 mt -92.72 -39.2 11.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.578 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 51.6 t -83.41 -26.36 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.482 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.04 -48.21 82.25 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.66 -27.01 2.57 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.922 0.391 . . . . 0.0 110.221 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.8 m -83.32 -53.1 5.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.288 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.482 HD11 HG22 ' A' ' 37' ' ' ILE . 69.3 mt -53.83 -28.33 16.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.73 -51.36 55.54 Favored Glycine 0 C--N 1.33 0.206 0 N-CA-C 110.148 -1.181 . . . . 0.0 110.148 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.4 mt -69.41 -55.61 14.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.106 -0.547 . . . . 0.0 110.596 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.424 ' HE3' ' CA ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -47.65 -35.34 9.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.803 0.335 . . . . 0.0 110.358 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.7 mt -61.0 -37.5 82.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.231 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -65.74 -53.57 38.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.733 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.51 -24.03 4.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.377 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -89.78 -69.37 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.345 -179.502 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.462 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 13.2 m-85 -46.74 -27.26 1.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.618 -179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.4 p -88.38 -21.57 24.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.976 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 m -87.36 -27.03 23.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.736 0.303 . . . . 0.0 110.546 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.53 -59.49 2.69 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.103 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 54.73 72.83 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.89 0.376 . . . . 0.0 110.241 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.438 -0.792 . . . . 0.0 110.358 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 57.99 76.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.298 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 170.64 120.07 0.53 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -122.88 -73.18 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.493 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -54.87 107.08 0.77 Allowed Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.668 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.444 ' HG3' ' CB ' ' A' ' 10' ' ' ALA . 43.2 Cg_endo -85.97 -41.68 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.824 2.349 . . . . 0.0 112.244 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 6' ' ' PRO . . . 84.06 -46.73 0.11 Allowed 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 122.914 0.486 . . . . 0.0 111.213 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.57 -54.62 0.78 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.592 -179.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -37.75 -82.55 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.924 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.444 ' CB ' ' HG3' ' A' ' 6' ' ' PRO . . . -46.83 -49.56 19.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.24 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -49.95 -43.2 49.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.237 -179.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -71.69 -24.17 61.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.722 0.296 . . . . 0.0 111.091 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.402 ' OG ' ' HA ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -70.25 -8.4 49.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.779 -179.496 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.432 ' N ' HD21 ' A' ' 14' ' ' LEU . 4.0 mm? -97.3 -52.75 3.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.419 0.628 . . . . 0.0 109.723 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -43.21 -45.21 5.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.084 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.74 25.55 5.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.172 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 18' ' ' ALA . 9.0 p -141.91 -58.05 0.47 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.89 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.41 ' N ' ' OG ' ' A' ' 17' ' ' SER . . . -87.09 55.36 3.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.805 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.5 t -98.47 16.47 21.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.021 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.43 -16.43 23.42 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.779 0.323 . . . . 0.0 111.072 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -110.0 -19.39 13.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.314 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 mt -91.47 77.7 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.042 0.449 . . . . 0.0 109.802 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -172.64 -55.83 0.05 OUTLIER Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -59.0 -23.58 62.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.738 0.304 . . . . 0.0 110.664 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.78 -10.4 59.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.385 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -79.46 -48.48 13.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.762 0.315 . . . . 0.0 110.623 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.22 -51.6 57.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.472 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -45.39 76.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.585 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.5 t -53.92 -36.76 31.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.411 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.2 -24.58 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.476 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 75.2 t -85.92 -27.06 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-O 121.009 0.433 . . . . 0.0 110.25 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.3 mt -89.62 -20.31 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.702 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.7 t -55.53 -49.46 73.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.139 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.39 -60.89 5.5 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.87 -28.27 1.52 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.025 0.44 . . . . 0.0 110.172 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.9 m -71.54 -45.91 61.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.057 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.3 mt -56.12 -46.53 81.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.259 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.16 -72.01 0.55 Allowed Glycine 0 CA--C 1.518 0.223 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 mt -48.05 -41.21 9.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.704 -0.248 . . . . 0.0 110.908 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -49.71 74.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.017 0.437 . . . . 0.0 110.446 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.9 mt -54.74 -28.23 46.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.773 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -73.79 -54.34 8.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.277 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.95 -19.52 4.76 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.76 -60.28 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.166 -179.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -61.52 -27.01 68.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.635 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.6 p -91.8 5.86 48.27 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.375 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.4 t -88.87 -31.28 18.34 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.672 0.272 . . . . 0.0 110.564 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 50' ' ' SER . 38.5 mtmt -43.06 -59.75 1.91 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.144 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 53.27 -87.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.598 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 48' ' ' LYS . 12.6 t . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.531 -0.747 . . . . 0.0 110.424 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 40.98 95.1 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.19 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 63.17 136.21 0.01 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -161.01 86.19 0.7 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.793 0.33 . . . . 0.0 110.468 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -173.0 77.08 0.41 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.52 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -85.61 -24.88 1.75 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.006 2.47 . . . . 0.0 112.192 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 9' ' ' ALA . . . 60.98 33.8 19.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.259 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 31.97 37.42 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.668 0.747 . . . . 0.0 112.561 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 7' ' ' ALA . . . -89.48 -65.86 0.98 Allowed 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.802 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.82 -47.13 82.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.794 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -48.9 -41.94 35.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.6 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -71.15 -46.05 62.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.266 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.27 -33.45 41.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.273 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.2 tp -63.75 -33.93 76.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.031 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -63.73 -36.3 83.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.541 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.07 22.81 8.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.756 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.0 p -104.3 -42.05 5.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.865 0.364 . . . . 0.0 110.596 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.67 -20.71 25.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.8 p -99.87 22.08 11.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.706 0.289 . . . . 0.0 110.88 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -90.64 -15.72 29.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 0.0 111.253 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -104.5 -21.99 13.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.176 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.406 HG21 ' O ' ' A' ' 22' ' ' ILE . 8.3 mm -83.8 -8.56 11.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.53 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 26' ' ' TRP . . . -70.07 -25.64 75.34 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -56.79 -25.21 55.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.897 0.379 . . . . 0.0 110.085 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.22 -18.4 32.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.691 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.41 ' HB2' ' O ' ' A' ' 23' ' ' GLY . 1.3 m95 -65.59 -30.43 71.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.809 0.338 . . . . 0.0 110.434 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.08 -51.24 44.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.544 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.67 -50.7 42.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.884 0.373 . . . . 0.0 110.12 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.2 t -62.16 -38.11 80.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.51 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.69 -32.86 55.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.941 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.9 t -73.58 -13.77 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.925 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 67.6 mt -94.76 -39.52 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.793 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.1 t -88.09 -35.66 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.4 -40.6 97.8 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.41 ' O ' ' CD1' ' A' ' 39' ' ' ILE . . . -51.49 -31.56 24.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.004 0.431 . . . . 0.0 110.113 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.6 m -75.07 -44.8 45.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.969 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.6 mt -63.12 -38.25 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.103 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.83 -65.67 3.36 Favored Glycine 0 C--N 1.329 0.15 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.41 ' CD1' ' O ' ' A' ' 35' ' ' ALA . 4.3 mt -56.04 -43.75 76.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.593 -0.303 . . . . 0.0 110.789 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.59 -36.45 64.43 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.736 0.303 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.7 mt -66.6 -44.67 81.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.656 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.502 ' CD1' ' HA ' ' A' ' 46' ' ' THR . 2.2 t80 -53.11 -49.53 66.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.844 0.354 . . . . 0.0 110.628 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.92 -22.45 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.555 -179.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.422 ' HE3' ' HA ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -95.48 -74.12 0.56 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.518 0.199 . . . . 0.0 110.51 -179.648 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.423 ' O ' ' CG2' ' A' ' 46' ' ' THR . 5.8 m-85 -69.57 -38.87 77.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.832 -0.167 . . . . 0.0 110.949 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.502 ' HA ' ' CD1' ' A' ' 42' ' ' PHE . 2.2 t 42.91 41.6 2.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.814 0.34 . . . . 0.0 111.577 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 69.59 15.64 8.16 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.893 178.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.415 ' HG2' HG21 ' A' ' 46' ' ' THR . 3.7 mmtm -51.38 -53.14 39.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.884 0.373 . . . . 0.0 110.389 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.64 60.61 1.01 Allowed 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.61 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.306 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 120.788 0.328 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.51 121.42 4.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.701 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -120.16 21.41 8.81 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.36 -36.77 74.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.802 0.334 . . . . 0.0 110.382 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.8 t0 61.31 120.96 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.322 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -82.31 9.54 3.95 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.547 2.164 . . . . 0.0 112.707 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.62 -66.24 0.56 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.816 0.341 . . . . 0.0 110.434 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -58.54 -27.71 64.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.65 -179.832 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.467 ' N ' ' HG3' ' A' ' 8' ' ' LYS . . . -51.16 -53.39 35.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.5 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.17 -47.08 78.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.366 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.62 -34.38 78.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.229 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -77.68 -31.22 52.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.293 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.53 -28.83 69.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.014 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -68.18 -26.44 65.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.205 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -86.78 -36.09 18.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.683 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.12 16.77 9.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.234 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.7 t -94.84 10.51 35.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.774 -0.194 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.42 38.98 1.41 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.826 0.346 . . . . 0.0 110.614 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.8 p -87.77 -8.9 55.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.225 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -92.8 -10.87 35.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.747 0.308 . . . . 0.0 111.768 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -92.09 -15.29 27.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.16 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.505 ' CD1' ' N ' ' A' ' 22' ' ' ILE . 1.1 mp -89.33 -46.65 15.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.057 -178.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -42.11 -32.32 1.04 Allowed Glycine 0 CA--C 1.528 0.86 0 N-CA-C 112.334 -0.306 . . . . 0.0 112.334 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -71.94 -34.97 69.46 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.659 -0.318 . . . . 0.0 110.95 -179.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.97 -19.65 19.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -77.91 -48.56 16.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.665 0.269 . . . . 0.0 110.836 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.54 -52.95 63.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.345 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -35.18 59.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.059 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.411 HG11 ' N ' ' A' ' 30' ' ' VAL . 0.7 OUTLIER -54.82 -49.2 71.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.411 ' N ' HG11 ' A' ' 29' ' ' VAL . 92.7 t -56.51 -48.28 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.614 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.9 t -58.56 -19.13 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.967 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.414 HD12 HG22 ' A' ' 32' ' ' ILE . 80.8 mt -95.76 -44.1 12.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.459 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.1 t -63.24 -28.02 44.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-O 120.792 0.33 . . . . 0.0 110.42 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.59 -52.9 6.92 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.4 ' O ' HG12 ' A' ' 39' ' ' ILE . . . -47.93 -30.3 4.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.087 0.47 . . . . 0.0 109.847 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.7 m -65.36 -47.37 76.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.606 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.1 mm -55.33 -21.53 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.874 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.23 -21.86 50.44 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 35' ' ' ALA . 1.8 mm -91.62 -35.71 7.26 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.351 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -45.75 90.96 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.774 179.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.1 mt -56.76 -25.34 54.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.266 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -86.63 -38.86 16.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -67.97 -48.07 66.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.805 0.336 . . . . 0.0 110.855 -179.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.447 ' HE2' ' N ' ' A' ' 45' ' ' PHE . 1.2 tmmm? -44.26 -51.7 8.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.913 -179.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.447 ' N ' ' HE2' ' A' ' 44' ' ' LYS . 9.7 m-85 -69.52 -40.16 77.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.878 0.37 . . . . 0.0 110.468 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 69.6 p -89.87 58.85 4.37 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.993 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 49' ' ' ALA . 5.1 p -161.78 -52.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.021 -179.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -64.34 69.54 0.03 OUTLIER 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 121.46 0.647 . . . . 0.0 111.152 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 47' ' ' SER . . . -171.81 143.13 1.61 Allowed 'General case' 0 C--N 1.302 -1.489 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.543 178.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.458 -0.782 . . . . 0.0 110.477 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -49.39 156.28 0.63 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.584 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 53.63 177.81 0.1 OUTLIER Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -75.18 -57.98 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.022 0.439 . . . . 0.0 110.203 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.8 t70 58.54 97.96 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.379 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -84.64 8.79 4.43 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.814 2.343 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.65 -67.3 0.77 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.841 0.353 . . . . 0.0 110.114 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.01 -29.99 69.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.332 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.02 -65.7 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.885 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.15 -39.03 19.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.615 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -68.4 -37.46 80.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.375 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -77.35 -48.58 16.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.712 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 17' ' ' SER . 0.5 OUTLIER -62.67 -31.07 71.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.507 -179.761 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 14' ' ' LEU . 1.4 tm? -52.14 -40.75 61.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.093 0.473 . . . . 0.0 110.139 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -72.61 -36.0 67.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.395 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -105.54 24.48 12.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.714 0.292 . . . . 0.0 111.23 -179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 13' ' ' SER . 10.1 t -112.39 -38.68 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.89 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.91 -23.19 59.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.115 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.1 p -100.46 24.99 8.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.57 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.407 ' OE1' ' CA ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -86.77 -13.1 46.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.347 -179.891 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -108.1 -18.96 13.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.274 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.422 HG23 HD11 ' A' ' 22' ' ' ILE . 12.0 mt -91.25 78.24 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.101 0.477 . . . . 0.0 109.768 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.67 -49.75 0.18 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -78.59 -24.46 45.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.693 0.282 . . . . 0.0 110.607 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.18 -24.66 60.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.515 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -69.67 -40.03 76.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.346 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.76 -46.16 70.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.307 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 ttp -58.72 -46.41 87.4 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 120.945 0.402 . . . . 0.0 110.305 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.5 t -55.71 -39.76 57.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.974 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.4 t -64.58 -27.35 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.073 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.2 t -79.1 -27.4 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.284 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.427 HD11 HG23 ' A' ' 32' ' ' ILE . 47.2 mt -75.0 -22.47 17.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.915 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.4 ' O ' HG21 ' A' ' 36' ' ' THR . 18.0 t -68.02 -56.9 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.65 -27.14 5.88 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.5 -28.68 69.82 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.4 HG21 ' O ' ' A' ' 33' ' ' VAL . 0.9 OUTLIER -67.68 -42.12 82.6 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.552 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.7 mm -58.66 -25.52 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.404 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.02 -61.8 3.84 Favored Glycine 0 C--N 1.33 0.246 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.4 mt -58.97 -39.52 78.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.575 -0.313 . . . . 0.0 110.287 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.446 ' HE3' ' N ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -57.42 -47.8 80.81 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.453 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.9 mt -63.08 -39.23 94.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.644 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -54.03 -35.05 61.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.04 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -74.12 -56.92 4.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.427 -178.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 44' ' ' LYS . 4.7 tmmm? -47.48 -53.82 13.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.375 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -50.7 -41.32 55.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.607 0.242 . . . . 0.0 110.663 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.4 p -84.99 -10.96 56.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.375 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 m -126.58 33.3 5.01 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.626 0.25 . . . . 0.0 110.646 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 5.5 mttm -46.33 -67.1 0.31 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.997 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 48' ' ' LYS . . . 164.74 160.27 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.256 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.6 p . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.478 -0.772 . . . . 0.0 110.41 -179.93 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 120.847 0.356 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 53.83 95.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.413 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 160.25 110.28 0.26 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.19 -76.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.194 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -176.93 75.05 0.24 Allowed Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.505 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -90.27 13.04 2.34 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.175 2.583 . . . . 0.0 112.517 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -96.96 49.63 1.08 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.628 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm 34.52 74.83 0.06 Allowed 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.31 0.644 . . . . 0.0 111.945 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.97 -60.96 1.83 Allowed 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.544 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.78 -41.65 74.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.659 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.16 -33.49 70.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.39 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -85.28 -24.87 27.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.537 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.57 -28.9 23.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.401 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.4 tp -64.21 -40.29 95.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.757 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -70.6 -46.29 63.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.532 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.03 -23.58 7.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.623 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.6 m -96.59 -49.63 5.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.143 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.7 50.48 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.224 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 t -91.01 21.4 4.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.999 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.11 -18.02 24.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 111.05 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -111.25 -21.86 11.67 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.326 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 mt -92.41 67.69 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.144 0 CA-C-O 121.007 0.432 . . . . 0.0 110.213 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -173.22 -56.39 0.05 OUTLIER Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -75.99 -25.79 56.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 0.0 110.548 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.415 ' O ' ' CG2' ' A' ' 29' ' ' VAL . . . -67.05 -23.84 65.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.507 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -73.54 -50.56 20.74 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.216 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.59 -33.94 48.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.182 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.5 tpp -75.61 -45.18 38.99 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.216 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.415 ' CG2' ' O ' ' A' ' 25' ' ' ALA . 87.8 t -57.93 -48.79 83.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.132 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.423 HG11 ' N ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -49.36 -34.11 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.454 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.423 ' N ' HG11 ' A' ' 30' ' ' VAL . 54.0 t -74.5 -23.83 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.428 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 29' ' ' VAL . 57.3 mt -90.7 -45.49 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.325 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 51.7 t -71.13 -41.95 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.68 -29.97 26.8 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.35 -28.32 69.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.439 HG21 ' N ' ' A' ' 37' ' ' ILE . 1.1 t -72.7 -33.4 66.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.112 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.439 ' N ' HG21 ' A' ' 36' ' ' THR . 23.7 mt -63.58 -28.56 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.846 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.73 -30.36 64.01 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 mm -91.09 -40.31 12.47 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -43.21 94.59 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.901 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.9 mt -60.84 -41.34 95.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.928 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.48 ' CG ' HG22 ' A' ' 46' ' ' THR . 87.2 t80 -59.07 -49.25 78.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.499 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -18.59 13.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.84 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -93.16 -52.03 4.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.823 0.344 . . . . 0.0 110.654 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -65.12 -29.02 69.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.455 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.48 HG22 ' CG ' ' A' ' 42' ' ' PHE . 36.3 p -90.45 -4.24 57.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.644 -179.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.67 -48.75 6.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.733 0.301 . . . . 0.0 110.306 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.445 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -52.01 -37.35 53.03 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-O 121.277 0.56 . . . . 0.0 110.731 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.445 ' N ' ' CD ' ' A' ' 48' ' ' LYS . . . -49.76 161.39 0.24 Allowed 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.389 -177.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.429 -0.796 . . . . 0.0 110.224 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 120.531 0.205 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -44.03 106.38 0.07 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.818 0.342 . . . . 0.0 110.845 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -169.31 116.54 0.66 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -119.12 64.61 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.716 0.293 . . . . 0.0 110.392 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -176.18 142.32 0.6 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.371 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -84.57 15.15 2.26 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.944 2.429 . . . . 0.0 112.816 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -44.63 -28.35 0.59 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.666 0.269 . . . . 0.0 111.069 -179.791 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -48.89 -31.67 7.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.581 179.915 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.02 -30.78 62.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.317 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.27 -47.58 19.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.344 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -52.86 -43.4 66.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.259 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -71.96 -24.09 61.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.443 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.6 -30.64 52.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.205 179.866 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.7 tp -71.58 -39.66 70.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.976 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.03 -22.96 63.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.331 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.21 2.39 15.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.563 -179.842 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.2 p -93.5 28.94 2.11 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.806 0.336 . . . . 0.0 110.595 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.03 72.92 1.5 Allowed 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.535 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.6 m -48.5 -25.29 1.61 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.259 -179.292 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -75.07 -11.77 60.17 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.82 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -117.62 -6.79 11.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.904 -179.434 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.9 mt -90.29 79.12 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.487 0 CA-C-O 121.508 0.67 . . . . 0.0 109.728 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.518 ' N ' ' HB3' ' A' ' 26' ' ' TRP . . . 178.03 -52.91 0.1 OUTLIER Glycine 0 C--N 1.313 -0.74 0 N-CA-C 110.093 -1.203 . . . . 0.0 110.093 179.704 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -89.09 -35.88 16.06 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.391 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -90.49 -10.09 44.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.485 177.532 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.518 ' HB3' ' N ' ' A' ' 23' ' ' GLY . 4.1 t-105 -90.54 -43.59 10.12 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 123.115 0.566 . . . . 0.0 109.927 -179.71 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.43 -43.55 80.9 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.279 -179.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -36.47 82.44 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.662 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 t -51.93 -43.81 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.79 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.1 t -59.16 -25.75 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.389 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 80.5 t -84.92 -14.64 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 39.0 mt -85.19 -42.15 16.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.766 0.317 . . . . 0.0 110.358 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 53.4 t -77.56 -36.81 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 179.543 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.09 -29.46 36.04 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 179.505 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.92 -28.25 68.79 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.513 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.401 HG21 ' N ' ' A' ' 37' ' ' ILE . 1.0 OUTLIER -70.79 -35.71 72.68 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.888 179.624 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.401 ' N ' HG21 ' A' ' 36' ' ' THR . 28.6 mt -62.34 -26.58 40.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.122 179.841 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.78 -30.37 61.8 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 mm -91.35 -41.87 13.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.442 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -42.14 84.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.803 179.694 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.96 -41.76 97.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.268 179.529 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -59.26 -31.42 69.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.99 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -81.97 -2.19 50.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.719 -179.068 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.42 -53.34 2.67 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.819 0.342 . . . . 0.0 110.865 -179.436 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -57.52 -35.08 69.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.579 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.2 p -85.74 8.82 18.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.265 -179.362 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 t -87.63 -36.81 17.26 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.929 0.395 . . . . 0.0 110.034 179.5 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -47.51 -56.53 6.87 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 56.57 -176.67 0.05 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.441 -179.467 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.514 -0.755 . . . . 0.0 110.29 -179.841 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 172.3 125.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.361 179.854 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.93 149.49 2.01 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.92 82.26 1.8 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.841 0.353 . . . . 0.0 110.221 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -155.86 71.3 5.29 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.498 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -83.57 -16.53 6.74 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.755 2.303 . . . . 0.0 112.31 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.53 -19.2 46.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.996 -179.817 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -43.42 -29.51 0.45 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.786 0.327 . . . . 0.0 111.273 -179.703 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.479 ' N ' ' HG3' ' A' ' 8' ' ' LYS . . . -75.88 -70.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.447 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -50.64 -24.6 3.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.981 -179.753 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.72 -39.55 44.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.725 0.298 . . . . 0.0 110.734 -179.719 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -83.73 -50.52 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.713 -179.774 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.85 -31.6 66.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.763 -179.755 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 62.3 tp -72.84 -41.11 65.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.725 -179.542 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -78.37 -38.12 42.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.514 -179.776 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.51 -0.53 29.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.257 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.6 t -78.96 -76.41 0.2 Allowed 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.782 0.325 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.69 -19.35 65.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.625 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.431 ' CG2' ' HB ' ' A' ' 22' ' ' ILE . 11.4 m -95.48 35.09 1.37 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.997 0.427 . . . . 0.0 110.055 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.09 -5.75 59.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.781 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -99.52 -21.44 15.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.82 0.343 . . . . 0.0 110.39 179.648 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.431 ' HB ' ' CG2' ' A' ' 19' ' ' THR . 8.8 mm -85.67 -42.85 16.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.77 -179.622 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -43.64 -43.67 6.52 Favored Glycine 0 C--O 1.225 -0.448 0 CA-C-O 120.075 -0.292 . . . . 0.0 113.452 -178.794 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -55.0 -43.63 73.79 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 118.003 0.901 . . . . 0.0 110.44 -178.822 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.74 -13.97 28.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.735 0.303 . . . . 0.0 110.59 178.789 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.45 ' HB3' ' HA2' ' A' ' 23' ' ' GLY . 6.6 t-105 -90.94 -23.93 20.3 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 122.855 0.462 . . . . 0.0 111.254 -178.358 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 23' ' ' GLY . . . -86.76 -53.18 5.07 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.641 -179.289 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -30.04 4.45 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.782 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 t -69.76 -43.06 80.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.261 179.33 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.2 t -67.04 -46.74 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.502 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.4 t -52.88 -28.86 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-O 121.036 0.446 . . . . 0.0 110.241 179.827 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.8 mt -74.61 -29.62 23.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.656 179.668 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.9 t -82.65 -26.26 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.362 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.93 -34.97 83.53 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 109.922 -1.271 . . . . 0.0 109.922 179.425 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.41 -33.82 63.87 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.213 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.1 m -67.62 -43.16 81.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.373 179.379 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.8 mt -62.18 -23.68 32.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 179.135 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.38 -25.57 65.52 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.661 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 mm -90.93 -41.07 13.12 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.442 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -47.86 84.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.336 179.38 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 39.1 mt -63.98 -43.16 96.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.821 179.063 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -49.62 -44.61 47.46 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.506 179.765 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -65.33 -19.0 65.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.133 -179.455 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -54.47 4.46 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-O 120.771 0.319 . . . . 0.0 110.547 -179.864 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -60.23 -27.04 66.88 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.357 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.5 p -92.69 18.46 8.75 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.388 179.475 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.6 t -172.11 51.32 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.627 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 50' ' ' SER . 16.6 mttt -47.64 -46.32 28.67 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.967 -178.479 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.65 92.91 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.021 -179.778 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.459 -0.781 . . . . 0.0 110.476 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 120.826 0.346 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 52.24 45.82 27.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.289 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.69 142.47 48.19 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -163.72 86.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 110.308 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.9 t70 58.45 91.11 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.13 -179.847 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -87.17 12.45 2.96 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.888 2.392 . . . . 0.0 112.405 -179.739 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.24 43.75 1.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.776 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.425 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 2.7 mmmm 28.46 63.23 0.12 Allowed 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 123.771 0.828 . . . . 0.0 112.517 179.727 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.33 -85.7 0.4 Allowed 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.409 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.61 -33.99 61.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.766 0.317 . . . . 0.0 110.463 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.35 -30.44 70.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.412 -179.809 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -92.61 -46.71 7.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.576 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.01 -37.92 89.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.473 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.1 tp -51.49 -43.09 62.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.282 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -52.09 -45.16 64.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.195 -179.646 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.24 19.73 7.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.882 -179.863 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 m -149.53 62.53 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.473 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.57 -53.27 10.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.454 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 t -91.42 17.85 7.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.074 -179.834 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.5 -4.75 57.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.666 0.269 . . . . 0.0 110.534 179.188 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -108.04 -19.88 13.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.94 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.478 ' CG2' ' O ' ' A' ' 22' ' ' ILE . 7.8 mm -85.11 5.67 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-O 121.09 0.471 . . . . 0.0 110.311 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.471 ' O ' ' CD1' ' A' ' 24' ' ' TYR . . . -105.5 -0.41 40.25 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 120.98 -0.628 . . . . 0.0 111.852 179.76 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 23' ' ' GLY . 3.8 m-85 -140.36 -44.79 0.41 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 117.346 0.573 . . . . 0.0 111.071 -179.617 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.22 -5.29 53.96 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.858 0.361 . . . . 0.0 110.037 178.619 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.463 ' HB3' ' O ' ' A' ' 22' ' ' ILE . 1.4 t-105 -90.89 -52.84 4.66 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.168 -179.753 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.28 -52.9 62.79 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.14 -179.327 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -33.07 39.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.729 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.4 ' HB ' ' O ' ' A' ' 26' ' ' TRP . 0.9 OUTLIER -65.8 -37.17 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.637 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.3 t -64.1 -28.63 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.23 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.2 t -77.79 -26.09 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-O 120.992 0.425 . . . . 0.0 110.401 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.478 HD11 HG22 ' A' ' 32' ' ' ILE . 73.5 mt -85.36 -26.18 6.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.144 179.776 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.5 t -75.62 -30.15 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.06 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.05 -58.89 4.52 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.63 -28.45 3.51 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.256 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.4 m -67.9 -41.68 82.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.548 179.032 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 52.2 mt -59.7 -30.67 45.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.793 179.651 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.54 -67.37 2.04 Favored Glycine 0 N--CA 1.458 0.164 0 N-CA-C 110.734 -0.947 . . . . 0.0 110.734 179.741 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.3 mt -52.08 -39.32 26.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.69 -0.255 . . . . 0.0 110.467 -179.747 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -46.32 82.46 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.785 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.6 mt -54.47 -32.31 57.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.921 179.693 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -68.08 -53.53 24.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.622 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -15.04 56.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.071 -179.409 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.17 -35.2 15.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.701 0.286 . . . . 0.0 110.606 -179.282 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -85.09 -26.67 26.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.81 0.338 . . . . 0.0 110.525 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.9 p -90.27 -16.06 30.06 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 -179.245 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.4 m -88.14 -17.41 31.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.553 0.216 . . . . 0.0 110.688 179.731 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 50' ' ' SER . 13.8 mmtt -43.13 -59.87 1.88 Allowed 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.023 -179.782 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 53.6 -87.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.691 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 48' ' ' LYS . 6.9 t . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.516 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 120.768 0.318 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -48.26 122.13 5.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.571 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 69.45 112.0 0.03 OUTLIER Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 -179.8 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -114.41 79.07 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.508 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.2 t0 57.05 95.2 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.548 179.847 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.447 ' HG3' ' CB ' ' A' ' 10' ' ' ALA . 41.2 Cg_endo -86.2 -43.65 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.934 2.422 . . . . 0.0 112.243 179.703 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 6' ' ' PRO . . . 82.63 -46.52 0.16 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 122.895 0.478 . . . . 0.0 111.381 179.316 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.97 -66.77 1.02 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.648 0.261 . . . . 0.0 111.467 -178.905 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -43.25 -89.08 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.686 -179.001 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.447 ' CB ' ' HG3' ' A' ' 6' ' ' PRO . . . -61.02 -25.33 66.83 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.665 0.269 . . . . 0.0 110.885 -179.303 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.401 ' O ' ' CB ' ' A' ' 15' ' ' GLN . 2.7 t80 -67.48 -27.83 67.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.852 0.358 . . . . 0.0 110.159 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -86.77 -32.36 20.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.476 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.74 -36.93 19.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.594 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.4 tp -78.0 -39.35 42.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.753 -179.403 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.401 ' CB ' ' O ' ' A' ' 11' ' ' PHE . 28.9 tt0 -61.19 -36.88 81.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.933 0.397 . . . . 0.0 110.391 -179.773 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.87 16.6 9.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.05 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.1 m -146.74 28.63 1.04 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.754 0.312 . . . . 0.0 110.427 -179.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -99.38 -56.14 2.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.5 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.8 p -99.84 4.95 45.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.081 -179.866 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.94 -8.59 53.88 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.599 0.237 . . . . 0.0 111.026 179.888 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -111.23 -13.23 14.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.305 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.453 ' O ' ' HB3' ' A' ' 26' ' ' TRP . 8.2 mt -88.7 3.02 5.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-O 120.985 0.421 . . . . 0.0 110.643 179.748 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' O ' ' CD1' ' A' ' 24' ' ' TYR . . . -105.9 -2.22 39.52 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.785 179.843 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.475 ' CD1' ' O ' ' A' ' 23' ' ' GLY . 1.3 m-85 -142.17 -45.73 0.34 Allowed 'General case' 0 C--O 1.231 0.093 0 CA-C-N 117.294 0.547 . . . . 0.0 110.55 -179.792 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.86 -7.19 53.91 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 178.226 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.453 ' HB3' ' O ' ' A' ' 22' ' ' ILE . 1.3 t-105 -90.87 -57.63 2.75 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.087 -179.79 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.81 -46.79 77.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.522 -179.235 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.7 tpp -56.91 -33.55 67.06 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.323 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -58.6 -52.35 60.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.86 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.2 t -51.84 -31.77 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.642 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.9 t -76.18 -19.03 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.802 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -88.78 -28.83 5.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.44 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.0 t -81.17 -29.39 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.67 -49.86 4.68 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.72 -29.75 4.8 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.442 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.0 m -69.13 -45.72 69.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.448 179.14 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.437 HG22 HD11 ' A' ' 37' ' ' ILE . 41.2 mt -57.72 -36.5 55.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.378 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.09 -21.31 61.4 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 179.318 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 mm -90.84 -49.25 13.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.561 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.486 ' HE2' ' CA ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -53.06 -41.85 65.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.917 179.549 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 60.1 mt -62.02 -42.11 98.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.267 179.671 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -59.67 -45.49 91.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.656 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 47' ' ' SER . 0.1 OUTLIER -56.89 -39.11 73.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.749 -179.437 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -49.37 -70.37 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.75 0.31 . . . . 0.0 110.709 -179.192 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.458 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 64.9 m-85 -60.73 -33.43 72.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.535 -179.02 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.417 ' OG1' ' HA ' ' A' ' 43' ' ' LYS . 71.8 p -85.71 3.34 41.6 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -179.023 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 71.4 p -126.57 19.58 7.34 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.502 0.192 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -54.2 -50.33 67.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.9 0.381 . . . . 0.0 110.22 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.75 -71.58 0.08 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.003 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.7 m . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.47 -0.776 . . . . 0.0 110.429 -179.994 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 56.1 177.53 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.417 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 67.07 136.06 0.04 OUTLIER Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.928 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.66 -38.82 53.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 110.446 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.9 t0 178.59 85.9 0.16 Allowed Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.429 -179.892 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -81.77 -36.18 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.699 2.266 . . . . 0.0 112.13 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 48.73 38.22 11.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.699 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm 34.49 75.74 0.05 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.339 0.656 . . . . 0.0 112.025 179.18 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.15 -73.21 0.39 Allowed 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.68 -179.862 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.13 -53.56 33.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.506 -179.758 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.23 -52.58 34.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.213 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -65.23 -33.62 76.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.911 179.675 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.39 -40.33 90.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.084 179.766 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.1 tp -54.6 -37.05 65.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.524 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -65.11 -28.3 69.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.599 -179.834 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.71 -7.71 41.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.419 -179.738 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.55 -23.67 17.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.664 0.269 . . . . 0.0 110.718 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -99.71 39.57 1.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.925 0.393 . . . . 0.0 110.658 -179.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.8 p -96.61 23.64 6.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.565 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -99.69 -17.23 17.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.083 -179.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -101.52 -20.42 15.1 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.972 -179.706 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.498 ' O ' ' HB3' ' A' ' 26' ' ' TRP . 8.0 mm -80.69 -48.77 19.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 110.519 -0.178 . . . . 0.0 110.519 -179.594 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -37.7 -28.65 0.04 OUTLIER Glycine 0 CA--C 1.529 0.953 0 CA-C-O 120.298 -0.168 . . . . 0.0 113.11 -178.864 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' A' ' 22' ' ' ILE . 7.5 m-85 -107.2 -35.59 6.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 117.232 0.516 . . . . 0.0 111.476 -178.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.81 -12.85 59.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.1 -179.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.498 ' HB3' ' O ' ' A' ' 22' ' ' ILE . 0.8 OUTLIER -90.85 -64.1 1.18 Allowed 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.691 0.282 . . . . 0.0 110.683 -179.744 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.413 ' N ' ' CG ' ' A' ' 26' ' ' TRP . . . -48.49 -48.8 37.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.819 -179.02 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -43.63 85.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.05 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 t -54.9 -51.08 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.996 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 63.8 t -49.95 -32.33 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.863 -179.776 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 35' ' ' ALA . 92.3 t -81.53 -17.59 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -179.915 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 52.3 mt -100.41 -45.75 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.098 -179.615 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.9 t -72.8 -68.08 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.857 -179.031 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.38 -26.98 38.98 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.546 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 31' ' ' VAL . . . -72.78 -22.14 60.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.55 0.214 . . . . 0.0 110.721 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.475 ' CG2' ' N ' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -82.94 -51.93 7.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.973 0.416 . . . . 0.0 110.14 -179.888 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.475 ' N ' ' CG2' ' A' ' 36' ' ' THR . 6.0 mt -51.38 -34.23 14.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.416 -179.7 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.54 -53.91 35.47 Favored Glycine 0 CA--C 1.517 0.182 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.778 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.414 ' CD1' ' O ' ' A' ' 35' ' ' ALA . 4.0 mt -75.47 -35.52 32.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.428 0.156 . . . . 0.0 110.971 -179.199 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.443 ' HE3' ' N ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -63.94 -43.35 96.1 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.711 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 mt -52.4 -24.33 7.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.286 179.662 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -83.23 -53.04 6.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.641 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 47' ' ' SER . 3.3 mmtp -55.62 -26.15 42.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.877 0.37 . . . . 0.0 110.645 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.452 ' CE ' ' HA ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -58.91 -75.41 0.05 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.715 -179.224 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.426 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 57.0 m-85 -61.11 -33.78 73.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.613 0.244 . . . . 0.0 111.44 -179.065 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.5 p -77.62 -71.62 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.736 0.303 . . . . 0.0 110.253 -179.37 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 43' ' ' LYS . 6.9 m -88.49 56.76 3.92 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.169 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -48.92 -51.86 27.81 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.01 -179.254 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 43.58 -168.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.189 -179.631 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.2 p . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.467 -0.778 . . . . 0.0 110.49 -179.792 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.719 0.295 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.43 -62.29 1.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.682 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.418 ' HA ' ' OG ' ' A' ' 13' ' ' SER . . . -46.39 -46.33 18.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.99 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -63.39 -39.64 95.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.492 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -73.47 -26.66 61.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.437 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.418 ' OG ' ' HA ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -60.75 -20.89 62.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mt -84.18 -43.33 15.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.089 0.471 . . . . 0.0 110.294 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -69.68 -25.23 63.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.871 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.384 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 CA--C 1.532 0.268 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -89.62 -8.42 52.58 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.619 0.247 . . . . 0.0 110.938 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -112.04 -12.68 13.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.266 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.3 mm -91.29 78.16 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 CA-C-O 121.115 0.483 . . . . 0.0 109.753 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.7 -58.11 0.1 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -69.0 -26.03 64.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.738 0.304 . . . . 0.0 110.337 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -69.34 -31.72 70.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.447 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -66.54 -41.13 89.19 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.51 -36.07 81.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.944 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.56 -37.51 85.11 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.476 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 25' ' ' ALA . 76.3 t -59.64 -44.94 94.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.043 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.13 -34.31 56.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.126 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.647 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 72.1 t -72.65 -13.38 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.807 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.9 mt -91.19 -47.98 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.424 ' O ' HG22 ' A' ' 36' ' ' THR . 6.0 t -81.54 -61.4 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.73 -26.4 5.5 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.647 ' HB2' ' O ' ' A' ' 31' ' ' VAL . . . -70.09 -23.99 63.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.66 0.266 . . . . 0.0 110.581 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.458 ' CG2' ' N ' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -82.1 -48.62 11.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.828 0.347 . . . . 0.0 110.217 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.458 ' N ' ' CG2' ' A' ' 36' ' ' THR . 47.5 mt -48.22 -34.32 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.548 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.63 -64.16 3.76 Favored Glycine 0 N--CA 1.459 0.184 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.1 mt -62.01 -33.59 59.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.634 0.254 . . . . 0.0 110.58 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -49.59 74.06 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.022 0.439 . . . . 0.0 109.96 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 41' ' ' LEU . 13.6 mt -58.38 -27.68 64.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.548 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -71.13 -43.55 67.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.025 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -62.25 -38.77 90.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.141 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.469 ' HE2' ' N ' ' A' ' 45' ' ' PHE . 1.1 tmmm? -60.49 -50.64 72.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.693 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.469 ' N ' ' HE2' ' A' ' 44' ' ' LYS . 8.4 m-85 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.947 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.863 0.364 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.68 -50.46 15.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.231 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.63 -27.58 68.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.24 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -74.5 -45.36 46.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.338 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -73.37 -22.16 60.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.653 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.07 -32.92 21.13 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.825 0.345 . . . . 0.0 110.375 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.4 tp -53.67 -40.18 65.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.064 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -62.45 -38.29 89.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.513 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.019 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.6 p . . . . . 0 CA--C 1.522 -0.123 0 CA-C-O 120.859 0.362 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.486 ' O ' ' CZ ' ' A' ' 24' ' ' TYR . 0.7 OUTLIER -85.69 -10.2 56.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.973 179.802 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -110.45 -21.6 12.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.308 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.471 ' O ' HG22 ' A' ' 22' ' ' ILE . 8.5 mm -89.93 -5.45 10.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 116.91 -0.132 . . . . 0.0 111.052 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.99 -25.08 53.65 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.498 ' N ' ' CD1' ' A' ' 24' ' ' TYR . 1.6 m-30 -77.22 -28.45 53.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.708 0.289 . . . . 0.0 110.347 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.53 -15.25 60.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.905 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.527 ' CZ3' HG11 ' A' ' 29' ' ' VAL . 5.8 m95 -84.53 -53.45 5.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.871 0.367 . . . . 0.0 110.838 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.07 -34.09 3.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.416 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.4 mmt -74.16 -40.47 62.56 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.824 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -49.6 -51.3 15.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.752 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.425 ' N ' HG12 ' A' ' 29' ' ' VAL . 66.2 t -50.58 -35.7 13.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.383 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.3 t -78.48 -26.7 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.262 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.5 mt -83.42 -23.67 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.211 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 29' ' ' VAL . 83.9 t -66.29 -34.39 69.86 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.1 -44.54 66.29 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.412 ' O ' HG12 ' A' ' 39' ' ' ILE . . . -50.6 -25.87 4.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.873 0.368 . . . . 0.0 110.074 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.1 m -78.3 -43.9 26.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.226 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.4 mt -58.02 -23.14 20.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.622 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.38 -22.8 61.92 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.442 ' N ' HD13 ' A' ' 39' ' ' ILE . 2.1 mm -91.29 -37.81 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -51.55 67.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.625 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 41' ' ' LEU . 21.7 mt -56.79 -30.38 63.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.076 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -71.87 -26.88 62.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.663 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.6 14.95 10.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.458 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.59 -51.9 2.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.876 0.37 . . . . 0.0 110.464 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.453 179.856 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 120.739 0.304 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.22 -68.53 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.568 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.402 ' HA ' ' OG ' ' A' ' 13' ' ' SER . . . -47.82 -50.24 26.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.968 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -56.87 -38.91 73.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.33 -23.51 59.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 110.767 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.402 ' OG ' ' HA ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -71.27 -21.9 62.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.299 -179.685 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mt -88.88 -43.28 11.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.968 0.413 . . . . 0.0 110.602 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -74.52 -31.78 62.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.514 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.953 -179.912 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.835 0.35 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -81.88 -18.25 44.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -102.39 -22.08 14.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.056 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.497 ' O ' HG22 ' A' ' 22' ' ' ILE . 8.3 mm -90.45 -4.16 10.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.07 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.03 -19.65 79.8 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -83.06 -24.3 32.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.747 0.308 . . . . 0.0 110.66 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.771 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -72.69 -19.36 61.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.033 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -70.3 -25.36 63.29 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.698 0.285 . . . . 0.0 110.627 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.741 ' O ' HG12 ' A' ' 30' ' ' VAL . . . -69.25 -53.71 18.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.55 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -32.1 70.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.191 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 25' ' ' ALA . 98.6 t -69.19 -50.7 50.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.217 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.741 HG12 ' O ' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -49.52 -29.37 4.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.488 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.3 t -76.87 -27.02 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.277 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' VAL . 70.7 mt -84.84 -21.55 7.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.372 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.0 t -74.1 -25.76 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 37' ' ' ILE . . . -72.83 -54.81 6.92 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.533 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -47.99 -29.3 3.34 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.159 0.504 . . . . 0.0 109.791 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 23.3 m -68.66 -41.85 78.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.388 178.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 34' ' ' GLY . 48.4 mt -62.85 -38.76 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.862 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.87 -63.73 4.99 Favored Glycine 0 C--N 1.329 0.146 0 N-CA-C 110.696 -0.962 . . . . 0.0 110.696 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.3 mt -58.33 -44.82 89.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.634 -0.283 . . . . 0.0 110.59 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -53.63 -39.85 65.3 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 120.869 0.366 . . . . 0.0 110.25 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 41' ' ' LEU . 18.1 mt -63.81 -50.79 67.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.13 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -43.7 -33.09 1.14 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.874 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -84.82 -58.04 2.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.077 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.91 -33.43 24.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.173 -179.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--O 1.231 0.109 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.703 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.841 0.353 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 13' ' ' SER . . . -57.94 -44.25 86.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.188 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.52 -41.38 73.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.523 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -70.33 -46.14 64.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.346 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -67.31 -39.07 85.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.879 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 9' ' ' ALA . 0.7 OUTLIER -58.47 -28.07 64.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.491 -179.804 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.5 tp -72.51 -38.82 68.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.777 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -76.67 -30.97 56.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.992 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.485 -179.529 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.1 p . . . . . 0 N--CA 1.463 0.182 0 CA-C-O 120.604 0.24 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.499 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 0.5 OUTLIER -82.29 1.67 35.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.563 0.22 . . . . 0.0 110.548 179.234 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.609 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 11.9 m-85 -106.92 17.26 23.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.71 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.2 mm -80.75 -43.48 21.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.828 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.99 2.09 78.9 Favored Glycine 0 CA--C 1.528 0.844 0 C-N-CA 121.217 -0.516 . . . . 0.0 112.877 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.499 ' CD2' ' O ' ' A' ' 20' ' ' GLU . 2.6 m-85 -124.69 -39.52 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 117.595 0.697 . . . . 0.0 111.863 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 21' ' ' TYR . . . -65.8 -16.83 64.17 Favored 'General case' 0 C--N 1.333 -0.147 0 O-C-N 122.339 -0.226 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -77.44 -29.36 52.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.761 0.315 . . . . 0.0 110.425 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.34 -24.91 63.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.259 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.4 mmm -83.55 -37.65 22.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.322 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.897 ' O ' HG23 ' A' ' 33' ' ' VAL . 69.7 t -57.25 -34.7 46.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.136 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.05 -36.44 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.405 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.7 t -77.12 -18.78 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.949 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.1 mt -95.7 -29.69 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.325 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 29' ' ' VAL . 53.4 t -60.45 -32.88 52.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-O 120.665 0.269 . . . . 0.0 110.358 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.82 -53.82 6.95 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.8 -31.34 2.96 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.165 0.507 . . . . 0.0 109.84 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.4 m -64.48 -43.68 93.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.554 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.4 mt -61.88 -26.82 40.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.089 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.25 -59.42 6.32 Favored Glycine 0 CA--C 1.517 0.194 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.6 mt -61.41 -43.04 96.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.53 -0.335 . . . . 0.0 110.857 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -40.96 74.85 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.793 0.33 . . . . 0.0 110.636 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 41' ' ' LEU . 12.6 mt -55.4 -25.87 38.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.631 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -80.72 -54.33 5.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.646 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -15.91 41.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.942 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.74 -43.05 15.89 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.575 0.226 . . . . 0.0 110.882 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 . . . . . 0 C--N 1.331 -0.231 0 CA-C-O 120.838 0.351 . . . . 0.0 110.876 -179.899 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.665 0.269 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.63 -67.25 0.22 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.538 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.02 -51.82 68.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.486 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -51.42 -35.97 41.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -73.1 -39.06 66.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.513 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.34 -27.96 50.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.32 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.1 tp -76.07 -32.67 59.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.487 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -82.01 -27.71 32.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.854 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.152 -179.912 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.6 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.672 0.272 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.41 -0.05 41.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.227 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -114.82 -8.43 12.58 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.3 mm -91.09 -46.04 14.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.03 -18.62 41.67 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.807 -0.517 . . . . 0.0 111.807 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -89.78 -24.71 21.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.023 0.412 . . . . 0.0 110.554 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.621 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -67.8 -12.2 60.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.517 179.258 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -79.09 -40.62 30.71 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-O 120.897 0.38 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.581 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -61.34 -30.08 70.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.523 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.0 mmt -76.31 -24.74 54.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.16 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 25' ' ' ALA . 94.7 t -78.39 -31.45 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.212 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.7 t -73.47 -38.63 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.356 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 27' ' ' ALA . 91.5 t -68.13 -21.86 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-O 120.91 0.386 . . . . 0.0 110.783 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.2 mt -94.36 -54.36 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.362 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 78.9 t -72.92 -24.49 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.195 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.03 -41.3 97.29 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.425 ' O ' HG12 ' A' ' 39' ' ' ILE . . . -51.18 -29.35 13.61 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.8 m -77.24 -51.41 10.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.893 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.8 mt -53.61 -27.32 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.58 -25.88 74.26 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.437 ' N ' HD13 ' A' ' 39' ' ' ILE . 2.5 mm -91.5 -45.0 14.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.087 0.47 . . . . 0.0 109.837 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -30.62 54.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.83 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' A' ' 41' ' ' LEU . 12.6 mt -68.0 -51.29 48.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.115 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -52.94 -51.35 61.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.482 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -14.65 53.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.177 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.61 -54.73 5.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.741 0.305 . . . . 0.0 110.88 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 -179.824 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 9' ' ' ALA . 6.4 ptmm? . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.909 0.385 . . . . 0.0 110.136 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 8' ' ' LYS . . . -64.27 -30.93 71.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.933 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.2 -47.32 62.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.918 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -63.12 -32.39 73.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.994 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -82.1 -23.83 35.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.331 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -23.94 67.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.439 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 mt -75.89 -40.45 54.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.08 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -80.4 -29.59 37.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.555 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.24 -179.873 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.8 p . . . . . 0 N--CA 1.462 0.168 0 CA-C-O 120.327 0.108 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -76.01 -9.78 58.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.703 0.287 . . . . 0.0 111.178 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -102.04 -23.42 14.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.64 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.4 mm -86.84 -14.45 10.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.76 -31.3 75.1 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -53.63 -27.54 27.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.86 0.362 . . . . 0.0 110.262 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.815 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -86.0 -27.18 25.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.663 ' O ' HG23 ' A' ' 30' ' ' VAL . 1.9 m95 -56.61 -32.28 65.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.227 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.27 -47.82 39.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.726 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.6 tpp -66.19 -38.43 88.0 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.254 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 25' ' ' ALA . 59.7 t -55.68 -30.67 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.0 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 26' ' ' TRP . 92.7 t -69.95 -30.82 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.04 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.4 t -80.15 -15.26 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.819 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 42.8 mt -84.71 -26.06 6.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.304 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -69.41 -59.68 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.56 -26.09 7.13 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.814 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -67.36 -26.49 66.5 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.497 ' CG2' ' N ' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -76.04 -54.08 7.38 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.731 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.497 ' N ' ' CG2' ' A' ' 36' ' ' THR . 44.8 mt -47.95 -25.9 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.99 -60.11 3.22 Favored Glycine 0 CA--C 1.519 0.327 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.814 HD12 ' O ' ' A' ' 35' ' ' ALA . 3.4 mt -67.84 -24.11 30.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.64 0.257 . . . . 0.0 110.826 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -71.33 -44.28 65.41 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.596 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.3 mt -63.14 -35.19 79.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.737 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -63.43 -44.56 94.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.95 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -38.29 71.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.781 -178.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.4 ' O ' ' NZ ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -77.72 -52.2 9.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.51 0.195 . . . . 0.0 110.902 -178.863 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 C--N 1.331 -0.202 0 CA-C-O 120.64 0.257 . . . . 0.0 110.929 -179.949 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.459 ' HA ' ' NZ ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 120.886 0.374 . . . . 0.0 110.32 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.45 -27.66 0.76 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.979 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.1 -50.17 6.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.364 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -53.29 -34.92 59.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.387 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -72.99 -32.76 65.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.332 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -21.86 40.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.298 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 mt -85.99 -44.12 12.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.367 . . . . 0.0 110.865 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -67.63 -36.29 80.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.708 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.603 179.718 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.5 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.866 0.365 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -83.65 -3.59 57.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.594 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -107.72 -18.09 13.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.445 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.476 ' O ' HG22 ' A' ' 22' ' ' ILE . 7.3 mm -88.68 -6.5 10.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 121.28 -0.168 . . . . 0.0 111.268 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.52 -41.48 36.15 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -70.84 -31.16 67.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.771 0.319 . . . . 0.0 110.456 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.812 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -60.59 -24.03 65.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.418 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.415 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.6 OUTLIER -61.53 -37.15 82.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.302 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.33 -50.14 55.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.263 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -43.01 86.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.041 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 25' ' ' ALA . 54.1 t -52.37 -29.16 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.277 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 26' ' ' TRP . 88.7 t -78.75 -35.88 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.245 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.1 t -70.8 -25.39 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.371 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 56.0 mt -79.18 -22.43 12.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.274 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.5 t -84.92 -35.2 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.92 -56.11 11.88 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.876 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -48.83 -29.05 4.18 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.078 0.466 . . . . 0.0 109.871 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.9 m -73.4 -49.15 28.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.093 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 82.9 mt -64.52 -27.04 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.397 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.51 -54.8 24.05 Favored Glycine 0 N--CA 1.459 0.199 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.876 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.4 mt -68.73 -46.71 79.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.515 -0.343 . . . . 0.0 110.687 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -43.33 65.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 0.0 110.404 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.498 HD23 ' HA ' ' A' ' 41' ' ' LEU . 13.0 mt -60.81 -30.12 69.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.933 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -71.23 -53.61 13.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.173 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.32 -18.52 11.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.38 -0.373 . . . . 0.0 112.0 -179.162 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.462 ' CE ' ' HA ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -90.63 -56.47 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.706 0.288 . . . . 0.0 110.96 -179.442 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 120.77 0.319 . . . . 0.0 111.04 -179.517 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 9' ' ' ALA . 7.5 ptmm? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.778 0.323 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 8' ' ' LYS . . . -74.4 -64.14 1.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.321 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.417 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -56.8 -30.28 63.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.551 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.93 -43.96 94.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.915 0.388 . . . . 0.0 110.367 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -74.31 -41.05 61.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.03 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.95 -36.08 64.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.028 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.417 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 16.3 tp -69.63 -41.26 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.697 0.284 . . . . 0.0 110.645 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -53.33 -36.22 61.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.59 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.26 -179.753 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 CA--C 1.531 0.225 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -80.52 -0.31 36.97 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.707 0.289 . . . . 0.0 110.583 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -101.06 -0.55 36.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.383 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.5 mt -90.26 79.13 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.255 0 CA-C-O 121.325 0.583 . . . . 0.0 109.558 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.14 -44.77 0.4 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.28 -1.128 . . . . 0.0 110.28 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -92.95 -32.26 14.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.87 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -66.25 -26.59 67.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.341 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.706 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.58 -46.56 85.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.062 179.84 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.41 -29.01 68.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.371 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.5 mmm -84.77 -43.4 14.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.197 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.896 ' O ' HG23 ' A' ' 33' ' ' VAL . 62.1 t -52.6 -43.14 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.422 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 26' ' ' TRP . 45.3 t -61.34 -40.9 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.275 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 31' ' ' VAL . 92.4 t -72.86 -12.05 15.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.59 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.414 HG22 ' OG1' ' A' ' 36' ' ' THR . 41.6 mt -98.82 -38.85 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.474 0.178 . . . . 0.0 111.316 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 29' ' ' VAL . 20.3 t -46.26 -40.35 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 120.658 0.266 . . . . 0.0 111.295 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -89.5 -56.19 1.93 Allowed Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.82 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -49.02 -29.35 4.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.077 0.465 . . . . 0.0 109.749 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.427 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 16.9 m -65.07 -49.44 70.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.512 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 55.9 mt -59.79 -36.19 64.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.418 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.89 -70.03 1.14 Allowed Glycine 0 N--CA 1.459 0.215 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.82 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.0 mt -49.34 -35.44 8.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.607 -0.297 . . . . 0.0 110.911 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -60.76 -54.65 42.56 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.932 0.396 . . . . 0.0 110.083 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 41' ' ' LEU . 12.7 mt -51.84 -27.62 13.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.772 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -71.12 -50.52 32.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.096 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -19.37 16.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.156 -0.474 . . . . 0.0 112.276 -178.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.409 ' HD3' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -83.92 -40.81 18.1 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 120.71 0.29 . . . . 0.0 110.874 -179.098 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.321 -179.011 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 121.522 0.677 . . . . 0.0 111.85 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.35 -73.44 0.12 Allowed 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.528 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.42 -28.67 55.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.535 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.429 ' HB3' ' HB3' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -75.17 -49.89 18.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.567 -179.853 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 17.2 t-20 -64.31 -26.59 68.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.324 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -29.34 67.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.973 0.416 . . . . 0.0 110.085 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -73.66 -38.23 65.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.543 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -71.65 -34.78 70.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.748 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.764 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.2 p . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 120.41 0.148 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -96.18 0.41 51.13 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 120.557 0.218 . . . . 0.0 111.207 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -106.51 2.75 26.46 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.9 mt -91.1 76.55 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.222 0.534 . . . . 0.0 109.669 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.35 -45.31 0.35 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.46 -1.056 . . . . 0.0 110.46 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -84.51 -33.57 23.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.336 . . . . 0.0 110.275 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.87 -21.46 66.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.495 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.492 ' O ' HG23 ' A' ' 30' ' ' VAL . 2.2 m95 -68.14 -37.08 80.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.249 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.419 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -53.4 -32.93 51.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.48 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 mmt -80.86 -51.62 8.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.139 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.557 ' O ' HG23 ' A' ' 33' ' ' VAL . 94.9 t -49.98 -25.59 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.481 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 26' ' ' TRP . 61.1 t -79.91 -37.02 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.015 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 27' ' ' ALA . 76.7 t -75.72 -19.94 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.703 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 38.6 mt -90.72 -40.07 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.049 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 29' ' ' VAL . 55.7 t -72.4 -53.08 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.87 -26.73 5.93 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.447 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -68.53 -23.95 64.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.632 0.254 . . . . 0.0 110.525 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 33' ' ' VAL . 0.6 OUTLIER -82.64 -46.6 13.05 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.421 ' N ' ' CG2' ' A' ' 36' ' ' THR . 56.1 mt -51.38 -30.69 10.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.979 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.87 -68.75 1.54 Allowed Glycine 0 C--N 1.329 0.147 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.447 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.3 mt -57.9 -34.45 48.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.728 0.299 . . . . 0.0 110.458 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -62.54 -50.96 69.28 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.905 0.384 . . . . 0.0 110.016 179.676 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 41' ' ' LEU . 12.4 mt -55.22 -23.47 22.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.363 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -75.76 -31.61 59.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -83.02 -14.05 54.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.403 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.27 -55.23 4.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.828 0.347 . . . . 0.0 110.725 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.663 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.418 ' NZ ' ' HB3' ' A' ' 8' ' ' LYS . 4.0 mtpp . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.689 0.281 . . . . 0.0 110.644 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.23 -78.65 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.594 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.65 -54.66 11.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.99 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -50.69 -37.54 41.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.419 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -71.59 -35.94 70.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.356 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.63 -29.57 70.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.756 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.6 tp -78.32 -31.13 48.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.796 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -92.66 -37.27 12.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.765 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.306 -179.796 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.665 ' O ' HG22 ' A' ' 19' ' ' THR . 64.5 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.075 0.464 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.31 -14.84 34.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.269 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -104.39 -22.21 13.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.624 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.514 ' HB ' HG23 ' A' ' 19' ' ' THR . 2.0 mm -80.27 -21.54 11.65 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.229 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.9 -12.56 57.51 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -71.98 -34.79 69.22 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.647 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -70.68 -26.07 63.27 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -62.52 -30.89 71.62 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.897 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.599 ' O ' HG12 ' A' ' 30' ' ' VAL . . . -69.91 -28.57 65.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.08 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 mmt -85.94 -45.75 11.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.859 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 25' ' ' ALA . 98.0 t -53.26 -41.79 44.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.357 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.599 HG12 ' O ' ' A' ' 27' ' ' ALA . 3.0 p -59.86 -31.93 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.982 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.5 t -77.44 -25.65 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.687 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.7 mt -88.04 -37.22 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.011 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.0 t -83.07 -26.65 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.48 -39.25 69.21 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.43 -32.45 49.83 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.409 ' HA ' HG12 ' A' ' 39' ' ' ILE . 15.7 m -67.34 -48.12 68.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.227 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.3 mt -55.42 -31.04 26.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.49 -20.66 73.9 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.437 ' N ' HD13 ' A' ' 39' ' ' ILE . 2.3 mm -91.05 -45.57 14.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.446 ' CA ' ' HE3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -56.95 -46.66 81.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.481 179.04 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.6 mt -55.76 -35.92 66.75 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.38 -50.69 58.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.848 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -15.09 42.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.321 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.34 -59.41 1.76 Allowed 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 CA--C 1.518 -0.252 0 CA-C-O 120.662 0.268 . . . . 0.0 110.745 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.907 0.384 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.12 -73.2 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.717 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.17 -33.54 3.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.938 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.67 -39.41 62.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.523 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -74.66 -27.48 60.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.56 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.35 -29.86 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.29 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.3 tp -70.53 -42.48 71.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.382 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -68.42 -35.26 77.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.594 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.085 179.82 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.0 t . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 120.647 0.26 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -85.51 0.0 53.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.018 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -100.55 -21.49 15.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.969 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 mm -83.95 -30.42 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.379 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -46.51 -28.83 3.64 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -73.95 -22.11 59.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.674 0.273 . . . . 0.0 111.13 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.637 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -76.94 -9.35 58.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.42 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.512 ' O ' HG23 ' A' ' 30' ' ' VAL . 4.7 m95 -82.98 -42.62 17.36 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.788 0.328 . . . . 0.0 110.57 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.706 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -54.85 -26.43 35.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.551 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.8 mmm -84.97 -34.39 22.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.2 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 25' ' ' ALA . 84.1 t -74.4 -31.54 28.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.179 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 26' ' ' TRP . 75.2 t -69.95 -42.05 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.038 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 27' ' ' ALA . 98.8 t -64.76 -21.68 29.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.637 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.2 mt -100.45 -62.63 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.607 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.416 ' O ' ' HB ' ' A' ' 36' ' ' THR . 70.3 t -77.71 -49.02 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.652 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.97 -49.21 59.8 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.402 ' O ' HG12 ' A' ' 39' ' ' ILE . . . -48.81 -26.97 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.925 0.393 . . . . 0.0 110.414 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 3.1 m -85.99 -55.22 4.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.982 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.6 mt -51.89 -28.16 9.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.14 -21.66 77.13 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.431 ' N ' HD13 ' A' ' 39' ' ' ILE . 2.7 mm -91.0 -48.07 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.449 ' CA ' ' HE3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -53.9 -46.5 71.44 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.898 179.574 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 41' ' ' LEU . 18.8 mt -58.18 -28.88 65.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.348 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -74.68 -52.97 10.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.559 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -24.43 64.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.558 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -80.8 -37.5 30.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.737 0.303 . . . . 0.0 110.309 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.438 ' NZ ' ' HB3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.445 -0.679 0 CA-C-O 121.405 0.622 . . . . 0.0 112.066 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.62 -44.29 9.13 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.118 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.79 -25.01 48.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.257 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.58 -57.39 3.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.273 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -54.31 -45.84 72.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.206 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.19 -28.47 69.16 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.057 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.675 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -62.77 -43.6 98.38 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -66.72 -39.07 87.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.152 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.122 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.464 0.227 0 CA-C-O 120.929 0.395 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -86.49 -18.76 30.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.946 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -90.61 -21.39 21.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.6 mm -87.92 -11.2 10.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.242 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.64 -44.5 63.21 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -70.9 -24.2 62.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.691 0.281 . . . . 0.0 110.389 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.719 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -65.93 -30.35 70.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.24 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.889 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -56.5 -27.01 56.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.287 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.82 -45.92 55.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.37 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -38.61 71.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.392 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 25' ' ' ALA . 99.4 t -57.88 -35.71 52.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.433 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 26' ' ' TRP . 93.1 t -65.68 -35.88 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.4 t -73.01 -20.0 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 67.2 mt -93.92 -47.84 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.402 ' O ' ' HB ' ' A' ' 36' ' ' THR . 70.0 t -68.02 -25.37 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.421 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.5 -53.17 26.15 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.78 -29.04 1.74 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.099 0.476 . . . . 0.0 110.232 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 17.4 m -73.5 -50.35 21.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.01 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.0 mm -51.88 -36.39 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.861 0.362 . . . . 0.0 110.219 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -53.62 -69.44 1.22 Allowed Glycine 0 C--N 1.329 0.165 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.2 mt -48.65 -44.32 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.445 -0.378 . . . . 0.0 110.664 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.408 ' HE3' ' CA ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -53.08 -50.6 64.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.798 0.332 . . . . 0.0 110.285 179.573 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.5 mt -57.28 -27.14 61.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.52 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -72.61 -43.17 63.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.125 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -59.48 -17.35 30.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.051 -179.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.18 -55.08 3.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.565 0.222 . . . . 0.0 110.973 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.147 -179.754 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.214 0 CA-C-O 120.917 0.389 . . . . 0.0 110.573 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.37 -68.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.489 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.79 -40.1 62.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.497 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -60.86 -37.75 83.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.311 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -68.7 -37.08 79.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.129 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.15 -27.66 68.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.94 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 tp -63.78 -29.96 71.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.274 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -48.86 -25.8 2.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.791 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.103 179.925 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.461 0.119 0 CA-C-O 120.752 0.31 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.422 ' O ' ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -90.21 2.22 55.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.072 -179.821 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -124.11 -15.74 6.71 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.413 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 13.5 mt -91.61 -41.8 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 26' ' ' TRP . . . -59.63 -60.21 9.16 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.545 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.422 ' CE2' ' O ' ' A' ' 20' ' ' GLU . 32.7 m-85 -51.19 -29.78 15.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.579 0.228 . . . . 0.0 110.929 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.741 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.37 -22.67 61.7 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.411 ' HB2' ' O ' ' A' ' 23' ' ' GLY . 5.9 m95 -81.43 -52.21 7.5 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.144 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 30' ' ' VAL . . . -52.22 -25.44 9.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.142 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.9 mmm -81.25 -37.97 27.69 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 25' ' ' ALA . 54.2 t -60.94 -30.42 47.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.014 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -75.31 -29.74 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.592 -179.85 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.7 t -82.57 -23.2 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.902 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.5 mt -88.79 -26.14 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.345 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 29' ' ' VAL . 25.5 t -78.25 -31.36 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.15 -52.46 3.42 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.696 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -49.9 -32.33 14.38 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.359 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.2 m -63.92 -41.2 97.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.473 -0.785 . . . . 0.0 108.997 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 58.5 mt -75.88 -26.05 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.901 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.71 -50.12 44.65 Favored Glycine 0 C--N 1.332 0.309 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.696 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.8 mt -68.94 -39.72 80.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.513 -0.343 . . . . 0.0 110.746 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.446 ' CA ' ' HE3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -60.81 -37.88 83.5 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 179.596 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 41' ' ' LEU . 12.9 mt -60.23 -32.83 71.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.239 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.466 ' CD1' ' C ' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -69.18 -56.27 8.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.006 0.431 . . . . 0.0 109.859 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.12 -27.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.983 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.27 -50.69 4.46 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.627 0.251 . . . . 0.0 111.251 -179.438 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 CA--C 1.518 -0.267 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -179.342 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.621 0.248 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.66 -84.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.453 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.89 -29.58 1.44 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.283 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.61 -36.81 81.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.798 0.332 . . . . 0.0 110.613 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -79.9 -36.38 36.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.151 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.21 -31.33 55.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.713 0.292 . . . . 0.0 110.626 -179.61 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -74.74 -30.7 61.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.7 -179.516 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -48.43 -31.83 6.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.323 -179.866 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 66.9 p . . . . . 0 CA--C 1.531 0.244 0 CA-C-O 120.362 0.125 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.485 ' O ' ' CE1' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -94.87 -8.95 35.75 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.684 0.278 . . . . 0.0 111.607 -179.736 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -102.38 -17.95 15.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.108 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.3 mm -77.12 -36.31 24.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.15 -10.51 59.56 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.485 ' CE1' ' O ' ' A' ' 20' ' ' GLU . 5.5 m-30 -67.81 -36.41 80.37 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.901 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -69.66 -25.07 63.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.085 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -67.41 -45.63 75.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.411 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.886 ' O ' HG12 ' A' ' 30' ' ' VAL . . . -63.17 -51.04 67.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.059 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -38.7 70.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 25' ' ' ALA . 23.7 t -53.09 -45.49 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.886 HG12 ' O ' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -54.63 -25.33 14.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.775 -179.675 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.9 t -88.45 -19.74 7.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.616 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 25.7 mt -83.94 -34.14 9.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.819 0.342 . . . . 0.0 110.389 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 29' ' ' VAL . 59.1 t -56.98 -30.86 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.559 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 37' ' ' ILE . . . -71.24 -54.76 8.54 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.462 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -47.48 -29.45 2.74 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.189 0.518 . . . . 0.0 109.987 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.5 m -70.7 -39.45 73.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.775 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' GLY . 37.9 mt -64.17 -32.46 57.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.228 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.43 -69.85 1.18 Allowed Glycine 0 C--N 1.33 0.195 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.462 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.5 mt -49.35 -43.38 16.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.444 -0.378 . . . . 0.0 110.722 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -52.59 63.94 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.903 0.382 . . . . 0.0 110.4 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.2 mt -58.54 -28.33 65.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.751 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -67.62 -43.82 79.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -60.5 -16.1 33.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.559 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.97 -62.31 1.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.465 0.174 . . . . 0.0 110.555 -179.108 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 CA--C 1.517 -0.316 0 C-N-CA 121.19 -0.204 . . . . 0.0 110.771 -179.828 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.418 ' NZ ' ' HB3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.05 -63.25 1.21 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.286 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.16 -53.78 51.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.204 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -52.28 -34.07 44.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.114 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -74.78 -37.62 62.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.132 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.08 -27.79 68.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.524 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.6 tp -72.66 -30.12 64.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.689 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -89.05 -47.05 8.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.27 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.636 ' HA ' HG22 ' A' ' 19' ' ' THR . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 120.888 0.375 . . . . 0.0 110.698 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.636 HG22 ' HA ' ' A' ' 16' ' ' ALA . 4.9 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.8 0.333 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -84.99 -22.68 29.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -89.29 -24.54 22.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.307 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.485 ' N ' ' CD1' ' A' ' 22' ' ' ILE . 1.1 mp -87.11 -44.0 16.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.256 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 26' ' ' TRP . . . -39.15 -33.5 0.27 Allowed Glycine 0 CA--C 1.527 0.841 0 CA-C-N 116.407 -0.36 . . . . 0.0 112.34 -179.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -57.07 -27.78 62.02 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 122.623 -0.339 . . . . 0.0 111.0 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.52 -5.65 41.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.603 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.441 ' O ' HG23 ' A' ' 30' ' ' VAL . 3.5 m95 -90.68 -51.58 5.31 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.775 0.321 . . . . 0.0 111.08 -179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -48.71 -26.62 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.701 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.8 mmt -77.37 -45.03 27.32 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.9 t -66.41 -26.39 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.336 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 26' ' ' TRP . 79.9 t -73.27 -33.28 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.253 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 27' ' ' ALA . 75.1 t -78.22 -21.82 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.78 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.8 mt -92.72 -39.2 11.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.578 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 51.6 t -83.41 -26.36 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.482 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.04 -48.21 82.25 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.66 -27.01 2.57 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.922 0.391 . . . . 0.0 110.221 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.8 m -83.32 -53.1 5.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.288 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 69.3 mt -53.83 -28.33 16.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.73 -51.36 55.54 Favored Glycine 0 C--N 1.33 0.206 0 N-CA-C 110.148 -1.181 . . . . 0.0 110.148 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.4 mt -69.41 -55.61 14.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.106 -0.547 . . . . 0.0 110.596 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.44 ' CA ' ' HE3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -47.65 -35.34 9.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.803 0.335 . . . . 0.0 110.358 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 41' ' ' LEU . 12.7 mt -61.0 -37.5 82.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.231 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -65.74 -53.57 38.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.733 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.51 -24.03 4.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.377 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -89.78 -69.37 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.345 -179.502 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.443 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 13.2 m-85 . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.618 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.331 0 CA-C-O 120.543 0.211 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -37.75 -82.55 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.924 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.422 ' HA ' ' OG ' ' A' ' 13' ' ' SER . . . -46.83 -49.56 19.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.24 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -49.95 -43.2 49.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.237 -179.341 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.69 -24.17 61.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.722 0.296 . . . . 0.0 111.091 -179.28 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.422 ' OG ' ' HA ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -70.25 -8.4 49.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.779 -179.496 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.42 HD22 ' N ' ' A' ' 14' ' ' LEU . 4.0 mm? -97.3 -52.75 3.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.419 0.628 . . . . 0.0 109.723 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -43.21 -45.21 5.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.084 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.172 -179.294 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.463 0.221 0 CA-C-O 120.595 0.236 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.43 -16.43 23.42 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.779 0.323 . . . . 0.0 111.072 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -110.0 -19.39 13.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.314 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 mt -91.47 77.7 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.042 0.449 . . . . 0.0 109.802 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -172.64 -55.83 0.05 OUTLIER Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -59.0 -23.58 62.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.738 0.304 . . . . 0.0 110.664 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.826 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -76.78 -10.4 59.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.385 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -79.46 -48.48 13.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.762 0.315 . . . . 0.0 110.623 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.22 -51.6 57.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.472 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -45.39 76.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.585 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.826 HG23 ' O ' ' A' ' 25' ' ' ALA . 69.5 t -53.92 -36.76 31.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.411 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.2 -24.58 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.476 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 75.2 t -85.92 -27.06 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-O 121.009 0.433 . . . . 0.0 110.25 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.3 mt -89.62 -20.31 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.702 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 37' ' ' ILE . 1.7 t -55.53 -49.46 73.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.139 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.39 -60.89 5.5 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.792 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -46.87 -28.27 1.52 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.025 0.44 . . . . 0.0 110.172 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.9 m -71.54 -45.91 61.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.057 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 33' ' ' VAL . 61.3 mt -56.12 -46.53 81.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.259 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.16 -72.01 0.55 Allowed Glycine 0 CA--C 1.518 0.223 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.792 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.1 mt -48.05 -41.21 9.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.704 -0.248 . . . . 0.0 110.908 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -49.71 74.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.017 0.437 . . . . 0.0 110.446 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 41' ' ' LEU . 20.9 mt -54.74 -28.23 46.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.773 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -73.79 -54.34 8.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.277 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.95 -19.52 4.76 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.132 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.76 -60.28 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.166 -179.501 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.635 -179.806 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.519 -0.245 0 CA-C-O 121.668 0.747 . . . . 0.0 112.561 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.48 -65.86 0.98 Allowed 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.802 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.401 ' HA ' ' OG ' ' A' ' 13' ' ' SER . . . -63.82 -47.13 82.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.794 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -48.9 -41.94 35.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.6 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -71.15 -46.05 62.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.266 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.401 ' OG ' ' HA ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -52.27 -33.45 41.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.273 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.2 tp -63.75 -33.93 76.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.031 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -63.73 -36.3 83.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.541 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.756 -179.801 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.8 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.706 0.289 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -90.64 -15.72 29.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 0.0 111.253 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -104.5 -21.99 13.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.176 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 22' ' ' ILE . 8.3 mm -83.8 -8.56 11.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.53 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 26' ' ' TRP . . . -70.07 -25.64 75.34 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -56.79 -25.21 55.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.897 0.379 . . . . 0.0 110.085 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.22 -18.4 32.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.691 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.429 ' HB2' ' O ' ' A' ' 23' ' ' GLY . 1.3 m95 -65.59 -30.43 71.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.809 0.338 . . . . 0.0 110.434 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.443 ' O ' HG12 ' A' ' 30' ' ' VAL . . . -50.08 -51.24 44.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.544 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.67 -50.7 42.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.884 0.373 . . . . 0.0 110.12 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.2 t -62.16 -38.11 80.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.51 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.443 HG12 ' O ' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -61.69 -32.86 55.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.941 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 27' ' ' ALA . 95.9 t -73.58 -13.77 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.925 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 67.6 mt -94.76 -39.52 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.793 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.409 ' O ' ' HB ' ' A' ' 36' ' ' THR . 13.1 t -88.09 -35.66 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.4 -40.6 97.8 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.879 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -51.49 -31.56 24.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.004 0.431 . . . . 0.0 110.113 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 4.6 m -75.07 -44.8 45.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.969 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.6 mt -63.12 -38.25 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.103 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.83 -65.67 3.36 Favored Glycine 0 C--N 1.329 0.15 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.879 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.3 mt -56.04 -43.75 76.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.593 -0.303 . . . . 0.0 110.789 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.59 -36.45 64.43 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.736 0.303 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 41' ' ' LEU . 15.7 mt -66.6 -44.67 81.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.656 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -53.11 -49.53 66.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.844 0.354 . . . . 0.0 110.628 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.92 -22.45 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.555 -179.382 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.463 ' HE3' ' HA ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -95.48 -74.12 0.56 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.518 0.199 . . . . 0.0 110.51 -179.648 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.832 -0.167 . . . . 0.0 110.949 -179.765 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.851 0.357 . . . . 0.0 110.65 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.463 ' N ' ' HG3' ' A' ' 8' ' ' LYS . . . -51.16 -53.39 35.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.5 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.17 -47.08 78.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.366 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.62 -34.38 78.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.229 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -77.68 -31.22 52.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.293 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.53 -28.83 69.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.014 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -68.18 -26.44 65.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.205 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -86.78 -36.09 18.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.683 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.234 -179.574 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.8 p . . . . . 0 CA--C 1.531 0.236 0 CA-C-O 120.421 0.153 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -92.8 -10.87 35.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.747 0.308 . . . . 0.0 111.768 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -92.09 -15.29 27.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.16 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.505 ' N ' ' CD1' ' A' ' 22' ' ' ILE . 1.1 mp -89.33 -46.65 15.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.057 -178.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -42.11 -32.32 1.04 Allowed Glycine 0 CA--C 1.528 0.86 0 N-CA-C 112.334 -0.306 . . . . 0.0 112.334 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -71.94 -34.97 69.46 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.659 -0.318 . . . . 0.0 110.95 -179.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.97 -19.65 19.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -77.91 -48.56 16.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.665 0.269 . . . . 0.0 110.836 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.54 -52.95 63.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.345 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -35.18 59.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.059 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.478 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -54.82 -49.2 71.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.7 t -56.51 -48.28 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.614 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.9 t -58.56 -19.13 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.967 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.8 mt -95.76 -44.1 12.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.459 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 29' ' ' VAL . 95.1 t -63.24 -28.02 44.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-O 120.792 0.33 . . . . 0.0 110.42 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.59 -52.9 6.92 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.416 ' O ' HG12 ' A' ' 39' ' ' ILE . . . -47.93 -30.3 4.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.087 0.47 . . . . 0.0 109.847 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.7 m -65.36 -47.37 76.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.606 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.1 mm -55.33 -21.53 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.874 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.23 -21.86 50.44 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.439 ' N ' HD13 ' A' ' 39' ' ' ILE . 1.8 mm -91.62 -35.71 7.26 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.351 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -45.75 90.96 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.774 179.378 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.1 mt -56.76 -25.34 54.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.266 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -86.63 -38.86 16.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -67.97 -48.07 66.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.805 0.336 . . . . 0.0 110.855 -179.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.458 ' HE2' ' N ' ' A' ' 45' ' ' PHE . 1.2 tmmm? -44.26 -51.7 8.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.913 -179.292 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.458 ' N ' ' HE2' ' A' ' 44' ' ' LYS . 9.7 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.878 0.37 . . . . 0.0 110.468 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.909 0.385 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.02 -65.7 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.885 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.15 -39.03 19.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.615 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -68.4 -37.46 80.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.375 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -77.35 -48.58 16.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.712 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -31.07 71.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.507 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.571 HD22 ' O ' ' A' ' 14' ' ' LEU . 1.4 tm? -52.14 -40.75 61.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.093 0.473 . . . . 0.0 110.139 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -72.61 -36.0 67.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.395 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.714 0.292 . . . . 0.0 111.23 -179.272 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.1 p . . . . . 0 N--CA 1.462 0.13 0 CA-C-O 120.624 0.25 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.407 ' OE1' ' CA ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -86.77 -13.1 46.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.347 -179.891 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -108.1 -18.96 13.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.274 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.0 mt -91.25 78.24 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.101 0.477 . . . . 0.0 109.768 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.67 -49.75 0.18 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -78.59 -24.46 45.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.693 0.282 . . . . 0.0 110.607 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.18 -24.66 60.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.515 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.477 ' O ' HG23 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -69.67 -40.03 76.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.346 -179.811 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.76 -46.16 70.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.307 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 ttp -58.72 -46.41 87.4 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 120.945 0.402 . . . . 0.0 110.305 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.5 t -55.71 -39.76 57.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.974 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 26' ' ' TRP . 91.4 t -64.58 -27.35 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.073 179.626 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.2 t -79.1 -27.4 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.284 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.2 mt -75.0 -22.47 17.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.915 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.528 ' O ' HG22 ' A' ' 36' ' ' THR . 18.0 t -68.02 -56.9 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.65 -27.14 5.88 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.5 -28.68 69.82 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.528 HG22 ' O ' ' A' ' 33' ' ' VAL . 0.9 OUTLIER -67.68 -42.12 82.6 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.552 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.7 mm -58.66 -25.52 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.404 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.02 -61.8 3.84 Favored Glycine 0 C--N 1.33 0.246 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.4 mt -58.97 -39.52 78.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.575 -0.313 . . . . 0.0 110.287 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.459 ' N ' ' HE3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -57.42 -47.8 80.81 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.453 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.9 mt -63.08 -39.23 94.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.644 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -54.03 -35.05 61.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.04 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -74.12 -56.92 4.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.427 -178.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.4 ' HE2' ' HB3' ' A' ' 44' ' ' LYS . 4.7 tmmm? -47.48 -53.82 13.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.375 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.607 0.242 . . . . 0.0 110.663 179.787 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.4 ' NZ ' ' HB2' ' A' ' 8' ' ' LYS . 3.2 mtmm . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 121.308 0.575 . . . . 0.0 111.945 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.97 -60.96 1.83 Allowed 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.544 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.78 -41.65 74.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.659 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.16 -33.49 70.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.39 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -85.28 -24.87 27.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.537 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.57 -28.9 23.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.401 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.4 tp -64.21 -40.29 95.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.757 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.405 ' HG3' HD12 ' A' ' 22' ' ' ILE . 45.9 tt0 -70.6 -46.29 63.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.532 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.623 179.951 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 N--CA 1.461 0.12 0 CA-C-O 120.574 0.226 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.11 -18.02 24.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 111.05 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -111.25 -21.86 11.67 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.326 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.405 HD12 ' HG3' ' A' ' 15' ' ' GLN . 3.5 mt -92.41 67.69 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.144 0 CA-C-O 121.007 0.432 . . . . 0.0 110.213 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -173.22 -56.39 0.05 OUTLIER Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -75.99 -25.79 56.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 0.0 110.548 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.909 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -67.05 -23.84 65.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.507 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -73.54 -50.56 20.74 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.216 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.679 ' O ' HG12 ' A' ' 30' ' ' VAL . . . -52.59 -33.94 48.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.182 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.5 tpp -75.61 -45.18 38.99 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.216 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 25' ' ' ALA . 87.8 t -57.93 -48.79 83.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.132 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.679 HG12 ' O ' ' A' ' 27' ' ' ALA . 0.8 OUTLIER -49.36 -34.11 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.454 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -74.5 -23.83 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.428 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 29' ' ' VAL . 57.3 mt -90.7 -45.49 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.325 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.765 ' O ' HG22 ' A' ' 36' ' ' THR . 51.7 t -71.13 -41.95 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.68 -29.97 26.8 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.35 -28.32 69.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 33' ' ' VAL . 1.1 t -72.7 -33.4 66.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.112 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 23.7 mt -63.58 -28.56 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.846 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.73 -30.36 64.01 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.427 ' N ' HD13 ' A' ' 39' ' ' ILE . 2.2 mm -91.09 -40.31 12.47 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -43.21 94.59 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.901 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 41' ' ' LEU . 17.9 mt -60.84 -41.34 95.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.928 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -59.07 -49.25 78.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.499 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -18.59 13.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.84 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -93.16 -52.03 4.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.823 0.344 . . . . 0.0 110.654 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.455 179.964 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.418 ' NZ ' ' HB3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.834 0.349 . . . . 0.0 110.581 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.02 -30.78 62.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.317 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.27 -47.58 19.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.344 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -52.86 -43.4 66.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.259 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -71.96 -24.09 61.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.443 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.6 -30.64 52.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.205 179.866 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.7 tp -71.58 -39.66 70.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.976 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.03 -22.96 63.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.331 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.672 ' O ' HD11 ' A' ' 22' ' ' ILE . . . . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.563 -179.842 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.6 m . . . . . 0 N--CA 1.462 0.129 0 CA-C-O 120.736 0.303 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -75.07 -11.77 60.17 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.82 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.439 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 39.0 m-85 -117.62 -6.79 11.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.904 -179.434 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.672 HD11 ' O ' ' A' ' 16' ' ' ALA . 4.9 mt -90.29 79.12 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.487 0 CA-C-O 121.508 0.67 . . . . 0.0 109.728 179.806 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.553 ' N ' ' HB3' ' A' ' 26' ' ' TRP . . . 178.03 -52.91 0.1 OUTLIER Glycine 0 C--N 1.313 -0.74 0 N-CA-C 110.093 -1.203 . . . . 0.0 110.093 179.704 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -89.09 -35.88 16.06 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.391 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 21' ' ' TYR . . . -90.49 -10.09 44.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.485 177.532 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.553 ' HB3' ' N ' ' A' ' 23' ' ' GLY . 4.1 t-105 -90.54 -43.59 10.12 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 123.115 0.566 . . . . 0.0 109.927 -179.71 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.43 -43.55 80.9 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.279 -179.491 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -36.47 82.44 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.662 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 t -51.93 -43.81 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.79 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.1 t -59.16 -25.75 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.389 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 80.5 t -84.92 -14.64 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 39.0 mt -85.19 -42.15 16.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.766 0.317 . . . . 0.0 110.358 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.676 ' O ' HG22 ' A' ' 36' ' ' THR . 53.4 t -77.56 -36.81 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 179.543 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.09 -29.46 36.04 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 179.505 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.92 -28.25 68.79 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.513 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.676 HG22 ' O ' ' A' ' 33' ' ' VAL . 1.0 OUTLIER -70.79 -35.71 72.68 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.888 179.624 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.6 mt -62.34 -26.58 40.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.122 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.78 -30.37 61.8 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.43 ' N ' HD13 ' A' ' 39' ' ' ILE . 2.2 mm -91.35 -41.87 13.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.442 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -42.14 84.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.803 179.694 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 41' ' ' LEU . 15.1 mt -63.96 -41.76 97.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.268 179.529 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -59.26 -31.42 69.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.99 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -81.97 -2.19 50.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.719 -179.068 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.42 -53.34 2.67 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.819 0.342 . . . . 0.0 110.865 -179.436 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.579 -179.894 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.786 0.327 . . . . 0.0 111.273 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.48 ' N ' ' HG3' ' A' ' 8' ' ' LYS . . . -75.88 -70.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.447 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -50.64 -24.6 3.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.981 -179.753 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.72 -39.55 44.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.725 0.298 . . . . 0.0 110.734 -179.719 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -83.73 -50.52 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.713 -179.774 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.85 -31.6 66.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.763 -179.755 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 62.3 tp -72.84 -41.11 65.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.725 -179.542 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -78.37 -38.12 42.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.514 -179.776 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.257 -179.95 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.459 HG22 ' HB ' ' A' ' 22' ' ' ILE . 11.4 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.997 0.427 . . . . 0.0 110.055 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.09 -5.75 59.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.781 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -99.52 -21.44 15.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.82 0.343 . . . . 0.0 110.39 179.648 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.53 HG22 ' HB2' ' A' ' 26' ' ' TRP . 8.8 mm -85.67 -42.85 16.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.77 -179.622 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -43.64 -43.67 6.52 Favored Glycine 0 C--O 1.225 -0.448 0 CA-C-O 120.075 -0.292 . . . . 0.0 113.452 -178.794 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -55.0 -43.63 73.79 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 118.003 0.901 . . . . 0.0 110.44 -178.822 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.74 -13.97 28.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.735 0.303 . . . . 0.0 110.59 178.789 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.53 ' HB2' HG22 ' A' ' 22' ' ' ILE . 6.6 t-105 -90.94 -23.93 20.3 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 122.855 0.462 . . . . 0.0 111.254 -178.358 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 23' ' ' GLY . . . -86.76 -53.18 5.07 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.641 -179.289 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -30.04 4.45 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.782 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 t -69.76 -43.06 80.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.261 179.33 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 26' ' ' TRP . 92.2 t -67.04 -46.74 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.502 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.4 t -52.88 -28.86 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-O 121.036 0.446 . . . . 0.0 110.241 179.827 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.8 mt -74.61 -29.62 23.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.656 179.668 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.9 t -82.65 -26.26 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.362 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.93 -34.97 83.53 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 109.922 -1.271 . . . . 0.0 109.922 179.425 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.406 ' O ' HG12 ' A' ' 39' ' ' ILE . . . -55.41 -33.82 63.87 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.213 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.1 m -67.62 -43.16 81.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.373 179.379 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.8 mt -62.18 -23.68 32.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 179.135 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.38 -25.57 65.52 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.661 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.434 ' N ' HD13 ' A' ' 39' ' ' ILE . 2.5 mm -90.93 -41.07 13.12 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.442 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -47.86 84.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.336 179.38 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 41' ' ' LEU . 39.1 mt -63.98 -43.16 96.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.821 179.063 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -49.62 -44.61 47.46 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.506 179.765 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -65.33 -19.0 65.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.133 -179.455 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -54.47 4.46 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-O 120.771 0.319 . . . . 0.0 110.547 -179.864 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 C--N 1.329 -0.288 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.357 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.437 ' NZ ' ' HB3' ' A' ' 8' ' ' LYS . 2.7 mmmm . . . . . 0 CA--C 1.52 -0.191 0 CA-C-O 121.581 0.705 . . . . 0.0 112.517 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.33 -85.7 0.4 Allowed 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.409 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.61 -33.99 61.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.766 0.317 . . . . 0.0 110.463 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.35 -30.44 70.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.412 -179.809 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -92.61 -46.71 7.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.576 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.01 -37.92 89.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.473 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.1 tp -51.49 -43.09 62.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.282 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -52.09 -45.16 64.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.195 -179.646 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.882 -179.863 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.463 0.219 0 CA-C-O 120.538 0.209 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.5 -4.75 57.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.666 0.269 . . . . 0.0 110.534 179.188 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -108.04 -19.88 13.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.94 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.617 ' O ' HG22 ' A' ' 22' ' ' ILE . 7.8 mm -85.11 5.67 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-O 121.09 0.471 . . . . 0.0 110.311 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.471 ' O ' ' CD1' ' A' ' 24' ' ' TYR . . . -105.5 -0.41 40.25 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 120.98 -0.628 . . . . 0.0 111.852 179.76 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 23' ' ' GLY . 3.8 m-85 -140.36 -44.79 0.41 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 117.346 0.573 . . . . 0.0 111.071 -179.617 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.22 -5.29 53.96 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.858 0.361 . . . . 0.0 110.037 178.619 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.483 ' HB3' ' O ' ' A' ' 22' ' ' ILE . 1.4 t-105 -90.89 -52.84 4.66 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.168 -179.753 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.28 -52.9 62.79 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.14 -179.327 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -33.07 39.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.729 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.538 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.9 OUTLIER -65.8 -37.17 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.637 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.3 t -64.1 -28.63 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.23 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.2 t -77.79 -26.09 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-O 120.992 0.425 . . . . 0.0 110.401 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.5 mt -85.36 -26.18 6.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.144 179.776 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 29' ' ' VAL . 48.5 t -75.62 -30.15 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.06 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.05 -58.89 4.52 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.63 -28.45 3.51 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.256 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.4 m -67.9 -41.68 82.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.548 179.032 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 52.2 mt -59.7 -30.67 45.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.793 179.651 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.54 -67.37 2.04 Favored Glycine 0 N--CA 1.458 0.164 0 N-CA-C 110.734 -0.947 . . . . 0.0 110.734 179.741 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.3 mt -52.08 -39.32 26.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.69 -0.255 . . . . 0.0 110.467 -179.747 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -46.32 82.46 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.785 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 41' ' ' LEU . 17.6 mt -54.47 -32.31 57.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.921 179.693 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -68.08 -53.53 24.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.622 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -15.04 56.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.071 -179.409 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.17 -35.2 15.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.701 0.286 . . . . 0.0 110.606 -179.282 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 . . . . . 0 C--N 1.331 -0.226 0 CA-C-O 120.81 0.338 . . . . 0.0 110.525 179.837 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.648 0.261 . . . . 0.0 111.467 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -43.25 -89.08 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.686 -179.001 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.02 -25.33 66.83 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.665 0.269 . . . . 0.0 110.885 -179.303 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.405 ' O ' ' HB2' ' A' ' 15' ' ' GLN . 2.7 t80 -67.48 -27.83 67.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.852 0.358 . . . . 0.0 110.159 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 24.4 t-20 -86.77 -32.36 20.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.476 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.74 -36.93 19.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.594 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.4 tp -78.0 -39.35 42.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.753 -179.403 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.405 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 28.9 tt0 -61.19 -36.88 81.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.933 0.397 . . . . 0.0 110.391 -179.773 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.05 -179.934 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.8 p . . . . . 0 N--CA 1.462 0.126 0 CA-C-O 120.269 0.08 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.94 -8.59 53.88 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.599 0.237 . . . . 0.0 111.026 179.888 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.461 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 29.0 m-85 -111.23 -13.23 14.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.305 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.621 ' O ' HG22 ' A' ' 22' ' ' ILE . 8.2 mt -88.7 3.02 5.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-O 120.985 0.421 . . . . 0.0 110.643 179.748 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' O ' ' CD1' ' A' ' 24' ' ' TYR . . . -105.9 -2.22 39.52 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.785 179.843 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.475 ' CD1' ' O ' ' A' ' 23' ' ' GLY . 1.3 m-85 -142.17 -45.73 0.34 Allowed 'General case' 0 C--O 1.231 0.093 0 CA-C-N 117.294 0.547 . . . . 0.0 110.55 -179.792 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 21' ' ' TYR . . . -75.86 -7.19 53.91 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 178.226 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.467 ' HB3' ' O ' ' A' ' 22' ' ' ILE . 1.3 t-105 -90.87 -57.63 2.75 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.087 -179.79 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.81 -46.79 77.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.522 -179.235 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.7 tpp -56.91 -33.55 67.06 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.323 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 30' ' ' VAL . 0.7 OUTLIER -58.6 -52.35 60.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.86 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.439 ' N ' HG12 ' A' ' 29' ' ' VAL . 59.2 t -51.84 -31.77 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.642 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.9 t -76.18 -19.03 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.802 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -88.78 -28.83 5.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.44 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.0 t -81.17 -29.39 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.67 -49.86 4.68 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.72 -29.75 4.8 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.442 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.0 m -69.13 -45.72 69.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.448 179.14 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.2 mt -57.72 -36.5 55.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.378 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.09 -21.31 61.4 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 179.318 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.416 ' N ' HD13 ' A' ' 39' ' ' ILE . 2.7 mm -90.84 -49.25 13.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.561 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.485 ' HE2' ' CA ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -53.06 -41.85 65.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.917 179.549 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 41' ' ' LEU . 60.1 mt -62.02 -42.11 98.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.267 179.671 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -59.67 -45.49 91.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.656 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.89 -39.11 73.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.749 -179.437 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -49.37 -70.37 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.75 0.31 . . . . 0.0 110.709 -179.192 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.461 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 64.9 m-85 . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.535 -179.02 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 121.225 0.536 . . . . 0.0 112.025 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.15 -73.21 0.39 Allowed 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.68 -179.862 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.13 -53.56 33.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.506 -179.758 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.23 -52.58 34.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.213 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -65.23 -33.62 76.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.911 179.675 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.39 -40.33 90.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.084 179.766 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.1 tp -54.6 -37.05 65.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.524 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -65.11 -28.3 69.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.599 -179.834 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.419 -179.738 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.8 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.738 0.304 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -99.69 -17.23 17.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.083 -179.912 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -101.52 -20.42 15.1 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.972 -179.706 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.518 ' O ' ' HB3' ' A' ' 26' ' ' TRP . 8.0 mm -80.69 -48.77 19.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 110.519 -0.178 . . . . 0.0 110.519 -179.594 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -37.7 -28.65 0.04 OUTLIER Glycine 0 CA--C 1.529 0.953 0 CA-C-O 120.298 -0.168 . . . . 0.0 113.11 -178.864 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' A' ' 22' ' ' ILE . 7.5 m-85 -107.2 -35.59 6.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 117.232 0.516 . . . . 0.0 111.476 -178.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.81 -12.85 59.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.1 -179.809 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.518 ' HB3' ' O ' ' A' ' 22' ' ' ILE . 0.8 OUTLIER -90.85 -64.1 1.18 Allowed 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.691 0.282 . . . . 0.0 110.683 -179.744 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.413 ' N ' ' CG ' ' A' ' 26' ' ' TRP . . . -48.49 -48.8 37.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.819 -179.02 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -43.63 85.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.05 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 t -54.9 -51.08 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.996 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 63.8 t -49.95 -32.33 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.863 -179.776 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 35' ' ' ALA . 92.3 t -81.53 -17.59 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -179.915 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 52.3 mt -100.41 -45.75 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.098 -179.615 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.9 t -72.8 -68.08 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.857 -179.031 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.38 -26.98 38.98 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.546 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.794 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -72.78 -22.14 60.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.55 0.214 . . . . 0.0 110.721 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.475 ' CG2' ' N ' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -82.94 -51.93 7.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.973 0.416 . . . . 0.0 110.14 -179.888 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.475 ' N ' ' CG2' ' A' ' 36' ' ' THR . 6.0 mt -51.38 -34.23 14.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.416 -179.7 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.54 -53.91 35.47 Favored Glycine 0 CA--C 1.517 0.182 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.778 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.794 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.0 mt -75.47 -35.52 32.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.428 0.156 . . . . 0.0 110.971 -179.199 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.457 ' N ' ' HE3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -63.94 -43.35 96.1 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.711 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 41' ' ' LEU . 12.5 mt -52.4 -24.33 7.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.286 179.662 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -83.23 -53.04 6.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.641 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -55.62 -26.15 42.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.877 0.37 . . . . 0.0 110.645 -179.805 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.474 ' CE ' ' HA ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -58.91 -75.41 0.05 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.715 -179.224 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 120.613 0.244 . . . . 0.0 111.44 -179.065 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -67.91 63.64 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.813 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -106.42 112.78 3.93 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -110.75 18.57 19.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.568 0.223 . . . . 0.0 110.924 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.854 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 4.9 t70 47.83 94.18 0.05 OUTLIER Pre-proline 0 C--N 1.332 -0.166 0 CA-C-O 120.714 0.292 . . . . 0.0 110.649 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -86.42 14.21 2.51 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.897 2.398 . . . . 0.0 112.458 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.75 -85.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.773 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.16 -36.01 25.08 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.719 0.295 . . . . 0.0 110.837 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.854 ' HB3' ' O ' ' A' ' 5' ' ' ASP . . . -51.43 -62.29 1.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.682 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.418 ' HA ' ' OG ' ' A' ' 13' ' ' SER . . . -46.39 -46.33 18.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.99 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -63.39 -39.64 95.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.492 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -73.47 -26.66 61.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.437 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.418 ' OG ' ' HA ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -60.75 -20.89 62.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mt -84.18 -43.33 15.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.089 0.471 . . . . 0.0 110.294 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -69.68 -25.23 63.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.871 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.79 -2.0 21.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.384 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 t -93.24 42.38 1.1 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.909 0.385 . . . . 0.0 110.23 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.36 69.62 1.46 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.289 0.566 . . . . 0.0 109.627 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.2 t -65.58 -6.89 12.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.943 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -89.62 -8.42 52.58 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.619 0.247 . . . . 0.0 110.938 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -112.04 -12.68 13.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.266 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.3 mm -91.29 78.16 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 CA-C-O 121.115 0.483 . . . . 0.0 109.753 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.7 -58.11 0.1 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -69.0 -26.03 64.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.738 0.304 . . . . 0.0 110.337 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -69.34 -31.72 70.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.447 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -66.54 -41.13 89.19 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.51 -36.07 81.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.944 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.56 -37.51 85.11 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.476 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 25' ' ' ALA . 76.3 t -59.64 -44.94 94.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.043 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.13 -34.31 56.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.126 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.647 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 72.1 t -72.65 -13.38 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.807 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.9 mt -91.19 -47.98 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.424 ' O ' HG22 ' A' ' 36' ' ' THR . 6.0 t -81.54 -61.4 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.73 -26.4 5.5 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.647 ' HB2' ' O ' ' A' ' 31' ' ' VAL . . . -70.09 -23.99 63.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.66 0.266 . . . . 0.0 110.581 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.458 ' CG2' ' N ' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -82.1 -48.62 11.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.828 0.347 . . . . 0.0 110.217 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.458 ' N ' ' CG2' ' A' ' 36' ' ' THR . 47.5 mt -48.22 -34.32 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.548 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.63 -64.16 3.76 Favored Glycine 0 N--CA 1.459 0.184 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.1 mt -62.01 -33.59 59.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.634 0.254 . . . . 0.0 110.58 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -49.59 74.06 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.022 0.439 . . . . 0.0 109.96 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 41' ' ' LEU . 13.6 mt -58.38 -27.68 64.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.548 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.568 ' O ' HG23 ' A' ' 46' ' ' THR . 5.3 t80 -71.13 -43.55 67.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.025 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 47' ' ' SER . 3.3 mmtp -62.25 -38.77 90.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.141 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.469 ' HE2' ' N ' ' A' ' 45' ' ' PHE . 1.1 tmmm? -60.49 -50.64 72.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.693 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.469 ' N ' ' HE2' ' A' ' 44' ' ' LYS . 8.4 m-85 -71.1 -25.77 62.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.947 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 42' ' ' PHE . 72.2 p -96.21 -6.09 38.95 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 43' ' ' LYS . 57.8 m -111.54 9.78 21.23 Favored 'General case' 0 C--N 1.332 -0.178 0 O-C-N 122.402 -0.186 . . . . 0.0 111.166 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -62.54 -57.94 9.34 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.767 0.318 . . . . 0.0 110.662 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 48.87 52.11 14.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.6 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.391 -0.814 . . . . 0.0 110.481 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -49.61 123.59 8.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.597 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.53 95.17 0.18 Allowed Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -158.77 -67.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.999 0.428 . . . . 0.0 110.39 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -179.65 79.51 0.2 Allowed Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.281 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -87.93 11.62 3.09 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.944 2.43 . . . . 0.0 112.126 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -100.29 16.53 24.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.779 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.1 -31.53 70.12 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.863 0.364 . . . . 0.0 110.349 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.68 -50.46 15.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.231 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.63 -27.58 68.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.24 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -74.5 -45.36 46.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.338 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -73.37 -22.16 60.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.653 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.07 -32.92 21.13 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.825 0.345 . . . . 0.0 110.375 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.4 tp -53.67 -40.18 65.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.064 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -62.45 -38.29 89.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.513 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.89 17.35 7.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 p -110.87 37.9 2.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.271 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.17 47.89 1.29 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.258 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.6 p -97.81 26.78 4.86 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.29 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.486 ' O ' ' CZ ' ' A' ' 24' ' ' TYR . 0.7 OUTLIER -85.69 -10.2 56.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.973 179.802 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -110.45 -21.6 12.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.308 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.471 ' O ' HG22 ' A' ' 22' ' ' ILE . 8.5 mm -89.93 -5.45 10.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 116.91 -0.132 . . . . 0.0 111.052 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.99 -25.08 53.65 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.498 ' N ' ' CD1' ' A' ' 24' ' ' TYR . 1.6 m-30 -77.22 -28.45 53.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.708 0.289 . . . . 0.0 110.347 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.53 -15.25 60.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.905 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.527 ' CZ3' HG11 ' A' ' 29' ' ' VAL . 5.8 m95 -84.53 -53.45 5.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.871 0.367 . . . . 0.0 110.838 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.07 -34.09 3.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.416 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.4 mmt -74.16 -40.47 62.56 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.824 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -49.6 -51.3 15.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.752 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.425 ' N ' HG12 ' A' ' 29' ' ' VAL . 66.2 t -50.58 -35.7 13.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.383 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.3 t -78.48 -26.7 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.262 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.5 mt -83.42 -23.67 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.211 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 29' ' ' VAL . 83.9 t -66.29 -34.39 69.86 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.1 -44.54 66.29 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.412 ' O ' HG12 ' A' ' 39' ' ' ILE . . . -50.6 -25.87 4.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.873 0.368 . . . . 0.0 110.074 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.1 m -78.3 -43.9 26.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.226 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.4 mt -58.02 -23.14 20.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.622 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.38 -22.8 61.92 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.442 ' N ' HD13 ' A' ' 39' ' ' ILE . 2.1 mm -91.29 -37.81 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -51.55 67.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.625 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 41' ' ' LEU . 21.7 mt -56.79 -30.38 63.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.076 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -71.87 -26.88 62.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.663 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.6 14.95 10.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.458 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.59 -51.9 2.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.876 0.37 . . . . 0.0 110.464 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -59.5 -27.06 65.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.453 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.5 p -92.29 -21.62 20.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.8 p -68.27 -24.92 64.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.32 . . . . 0.0 110.382 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -51.21 -46.53 62.25 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.536 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -39.47 111.13 0.17 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.491 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.508 -0.758 . . . . 0.0 110.437 179.924 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 174.34 50.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.36 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 59.81 108.87 0.01 OUTLIER Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.93 -62.7 1.27 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.922 0.391 . . . . 0.0 110.218 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -51.39 147.45 10.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.254 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -84.52 13.43 2.75 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.865 2.377 . . . . 0.0 112.848 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.29 -24.78 12.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.771 0.32 . . . . 0.0 110.45 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -51.14 -25.34 5.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.462 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.22 -68.53 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.568 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.402 ' HA ' ' OG ' ' A' ' 13' ' ' SER . . . -47.82 -50.24 26.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.968 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -56.87 -38.91 73.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.33 -23.51 59.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 110.767 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.402 ' OG ' ' HA ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -71.27 -21.9 62.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.299 -179.685 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mt -88.88 -43.28 11.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.968 0.413 . . . . 0.0 110.602 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -74.52 -31.78 62.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.514 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.05 17.94 14.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.953 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 t -151.43 27.11 0.67 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.673 0.273 . . . . 0.0 110.803 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.0 -56.83 2.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.872 0.367 . . . . 0.0 110.402 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 t -97.63 30.57 2.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.643 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -81.88 -18.25 44.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -102.39 -22.08 14.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.056 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.497 ' O ' HG22 ' A' ' 22' ' ' ILE . 8.3 mm -90.45 -4.16 10.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.07 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.03 -19.65 79.8 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -83.06 -24.3 32.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.747 0.308 . . . . 0.0 110.66 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.771 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -72.69 -19.36 61.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.033 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -70.3 -25.36 63.29 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.698 0.285 . . . . 0.0 110.627 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.741 ' O ' HG12 ' A' ' 30' ' ' VAL . . . -69.25 -53.71 18.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.55 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -32.1 70.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.191 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 25' ' ' ALA . 98.6 t -69.19 -50.7 50.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.217 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.741 HG12 ' O ' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -49.52 -29.37 4.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.488 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.3 t -76.87 -27.02 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.277 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' VAL . 70.7 mt -84.84 -21.55 7.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.372 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.0 t -74.1 -25.76 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 37' ' ' ILE . . . -72.83 -54.81 6.92 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.533 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -47.99 -29.3 3.34 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.159 0.504 . . . . 0.0 109.791 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 23.3 m -68.66 -41.85 78.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.388 178.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 34' ' ' GLY . 48.4 mt -62.85 -38.76 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.862 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.87 -63.73 4.99 Favored Glycine 0 C--N 1.329 0.146 0 N-CA-C 110.696 -0.962 . . . . 0.0 110.696 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.3 mt -58.33 -44.82 89.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.634 -0.283 . . . . 0.0 110.59 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -53.63 -39.85 65.3 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 120.869 0.366 . . . . 0.0 110.25 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 41' ' ' LEU . 18.1 mt -63.81 -50.79 67.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.13 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -43.7 -33.09 1.14 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.874 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -84.82 -58.04 2.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.077 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.411 ' O ' ' NZ ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -50.91 -33.43 24.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.173 -179.331 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -49.77 -40.31 40.86 Favored 'General case' 0 C--O 1.231 0.109 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.8 p -79.53 -24.16 42.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.5 m -91.86 17.28 9.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 3.3 mmmp? -51.69 -60.79 2.76 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.714 0.293 . . . . 0.0 110.518 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 48' ' ' LYS . . . 68.27 124.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.507 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.527 -0.749 . . . . 0.0 110.404 179.865 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 120.753 0.311 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 67.39 119.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.546 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.94 22.06 0.89 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -145.52 79.05 1.56 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.802 0.334 . . . . 0.0 110.107 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -46.37 101.92 0.28 Allowed Pre-proline 0 N--CA 1.463 0.176 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -87.15 14.02 2.53 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.902 2.401 . . . . 0.0 112.391 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.15 21.98 5.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.851 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -63.01 -29.13 70.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.841 0.353 . . . . 0.0 110.227 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 13' ' ' SER . . . -57.94 -44.25 86.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.188 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.52 -41.38 73.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.523 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -70.33 -46.14 64.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.346 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -67.31 -39.07 85.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.879 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 9' ' ' ALA . 0.7 OUTLIER -58.47 -28.07 64.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.491 -179.804 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.5 tp -72.51 -38.82 68.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.777 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -76.67 -30.97 56.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.992 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.15 16.68 5.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.485 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.08 -54.41 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.375 . . . . 0.0 110.299 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.66 63.81 1.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.369 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.1 p -68.26 -12.71 61.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.999 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.499 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 0.5 OUTLIER -82.29 1.67 35.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.563 0.22 . . . . 0.0 110.548 179.234 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.609 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 11.9 m-85 -106.92 17.26 23.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.71 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.2 mm -80.75 -43.48 21.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.828 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.99 2.09 78.9 Favored Glycine 0 CA--C 1.528 0.844 0 C-N-CA 121.217 -0.516 . . . . 0.0 112.877 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.499 ' CD2' ' O ' ' A' ' 20' ' ' GLU . 2.6 m-85 -124.69 -39.52 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 117.595 0.697 . . . . 0.0 111.863 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 21' ' ' TYR . . . -65.8 -16.83 64.17 Favored 'General case' 0 C--N 1.333 -0.147 0 O-C-N 122.339 -0.226 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -77.44 -29.36 52.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.761 0.315 . . . . 0.0 110.425 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.34 -24.91 63.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.259 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.4 mmm -83.55 -37.65 22.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.322 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.897 ' O ' HG23 ' A' ' 33' ' ' VAL . 69.7 t -57.25 -34.7 46.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.136 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.05 -36.44 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.405 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.7 t -77.12 -18.78 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.949 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.1 mt -95.7 -29.69 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.325 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 29' ' ' VAL . 53.4 t -60.45 -32.88 52.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-O 120.665 0.269 . . . . 0.0 110.358 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.82 -53.82 6.95 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.8 -31.34 2.96 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.165 0.507 . . . . 0.0 109.84 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.4 m -64.48 -43.68 93.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.554 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.4 mt -61.88 -26.82 40.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.089 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.25 -59.42 6.32 Favored Glycine 0 CA--C 1.517 0.194 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.6 mt -61.41 -43.04 96.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.53 -0.335 . . . . 0.0 110.857 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -40.96 74.85 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.793 0.33 . . . . 0.0 110.636 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 41' ' ' LEU . 12.6 mt -55.4 -25.87 38.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.631 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.432 ' O ' HG23 ' A' ' 46' ' ' THR . 91.1 t80 -80.72 -54.33 5.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.646 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -15.91 41.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.942 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.74 -43.05 15.89 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.575 0.226 . . . . 0.0 110.882 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -76.72 -30.89 56.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.838 0.351 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 42' ' ' PHE . 43.8 p -84.88 -11.01 56.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.386 -179.012 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 m -86.18 -35.54 20.04 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.935 0.398 . . . . 0.0 110.198 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.0 mmtm -46.75 -32.36 3.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.095 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -39.12 -61.96 0.7 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.721 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.488 -0.768 . . . . 0.0 110.642 -179.821 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -49.4 113.0 0.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.708 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.52 147.98 38.03 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -89.1 -52.26 5.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.967 0.413 . . . . 0.0 110.64 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.446 ' OD2' ' HB3' ' A' ' 7' ' ' ALA . 16.1 t70 63.2 140.11 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.343 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -85.81 -24.22 1.87 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.858 2.372 . . . . 0.0 112.077 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.446 ' HB3' ' OD2' ' A' ' 5' ' ' ASP . . . -71.78 -55.36 7.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.638 -179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -69.5 -27.05 64.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.562 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.63 -67.25 0.22 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.538 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.02 -51.82 68.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.486 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -51.42 -35.97 41.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -73.1 -39.06 66.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.513 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.34 -27.96 50.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.32 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.1 tp -76.07 -32.67 59.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.487 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -82.01 -27.71 32.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.854 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.26 10.42 14.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.152 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.93 -39.99 4.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.753 0.311 . . . . 0.0 110.446 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -96.18 49.92 1.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.535 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.6 p -98.35 24.18 7.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.339 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.41 -0.05 41.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.227 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -114.82 -8.43 12.58 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.3 mm -91.09 -46.04 14.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.03 -18.62 41.67 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.807 -0.517 . . . . 0.0 111.807 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -89.78 -24.71 21.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.023 0.412 . . . . 0.0 110.554 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.621 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -67.8 -12.2 60.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.517 179.258 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -79.09 -40.62 30.71 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-O 120.897 0.38 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.581 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -61.34 -30.08 70.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.523 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.0 mmt -76.31 -24.74 54.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.16 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 25' ' ' ALA . 94.7 t -78.39 -31.45 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.212 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.7 t -73.47 -38.63 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.356 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 27' ' ' ALA . 91.5 t -68.13 -21.86 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-O 120.91 0.386 . . . . 0.0 110.783 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.2 mt -94.36 -54.36 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.362 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 78.9 t -72.92 -24.49 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.195 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.03 -41.3 97.29 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.425 ' O ' HG12 ' A' ' 39' ' ' ILE . . . -51.18 -29.35 13.61 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.8 m -77.24 -51.41 10.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.893 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.8 mt -53.61 -27.32 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.58 -25.88 74.26 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.437 ' N ' HD13 ' A' ' 39' ' ' ILE . 2.5 mm -91.5 -45.0 14.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.087 0.47 . . . . 0.0 109.837 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -30.62 54.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.83 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' A' ' 41' ' ' LEU . 12.6 mt -68.0 -51.29 48.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.115 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -52.94 -51.35 61.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.482 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -14.65 53.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.177 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.61 -54.73 5.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.741 0.305 . . . . 0.0 110.88 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -61.94 -34.45 76.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.5 p -84.51 6.34 24.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.537 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 55.0 p -126.16 18.36 7.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.46 0.171 . . . . 0.0 111.053 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.412 ' HA ' ' HE2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -59.96 -54.93 40.25 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.701 0.286 . . . . 0.0 110.391 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.25 129.3 27.64 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.407 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.491 -0.766 . . . . 0.0 110.473 -179.956 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 176.01 130.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.32 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.27 -178.69 37.45 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -107.86 44.05 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.328 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -176.35 79.48 0.27 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.455 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.605 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 49.8 Cg_endo -84.81 -4.97 9.86 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.891 2.394 . . . . 0.0 112.709 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . 85.96 -48.98 0.07 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.939 0.495 . . . . 0.0 110.132 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 9' ' ' ALA . 6.4 ptmm? -63.81 -39.05 93.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.136 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 8' ' ' LYS . . . -64.27 -30.93 71.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.933 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.2 -47.32 62.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.918 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -63.12 -32.39 73.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.994 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -82.1 -23.83 35.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.331 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -23.94 67.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.439 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 mt -75.89 -40.45 54.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.08 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -80.4 -29.59 37.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.555 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.01 14.72 8.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.24 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.7 t -96.67 28.01 3.62 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.881 0.372 . . . . 0.0 110.251 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.47 64.5 1.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.272 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.8 p -74.26 -3.84 32.47 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.147 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -76.01 -9.78 58.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.703 0.287 . . . . 0.0 111.178 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -102.04 -23.42 14.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.64 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.4 mm -86.84 -14.45 10.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.76 -31.3 75.1 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -53.63 -27.54 27.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.86 0.362 . . . . 0.0 110.262 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.815 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -86.0 -27.18 25.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.663 ' O ' HG23 ' A' ' 30' ' ' VAL . 1.9 m95 -56.61 -32.28 65.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.227 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.27 -47.82 39.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.726 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.6 tpp -66.19 -38.43 88.0 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.254 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 25' ' ' ALA . 59.7 t -55.68 -30.67 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.0 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 26' ' ' TRP . 92.7 t -69.95 -30.82 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.04 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.4 t -80.15 -15.26 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.819 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 42.8 mt -84.71 -26.06 6.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.304 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -69.41 -59.68 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.56 -26.09 7.13 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.814 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -67.36 -26.49 66.5 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.497 ' CG2' ' N ' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -76.04 -54.08 7.38 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.731 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.497 ' N ' ' CG2' ' A' ' 36' ' ' THR . 44.8 mt -47.95 -25.9 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.99 -60.11 3.22 Favored Glycine 0 CA--C 1.519 0.327 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.814 HD12 ' O ' ' A' ' 35' ' ' ALA . 3.4 mt -67.84 -24.11 30.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.64 0.257 . . . . 0.0 110.826 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -71.33 -44.28 65.41 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.596 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.3 mt -63.14 -35.19 79.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.737 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.658 ' CE2' HG21 ' A' ' 46' ' ' THR . 4.0 t80 -63.43 -44.56 94.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.95 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 47' ' ' SER . 0.0 OUTLIER -56.63 -38.29 71.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.781 -178.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.4 ' O ' ' NZ ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -77.72 -52.2 9.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.51 0.195 . . . . 0.0 110.902 -178.863 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -57.92 -41.15 82.11 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.64 0.257 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.658 HG21 ' CE2' ' A' ' 42' ' ' PHE . 44.0 p -84.42 -8.57 58.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.252 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 43' ' ' LYS . 2.6 t -75.18 -21.14 58.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.528 0.204 . . . . 0.0 110.581 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.499 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 11.9 mtpp -41.6 -57.9 2.12 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.764 0.316 . . . . 0.0 111.206 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 48' ' ' LYS . . . 70.7 174.26 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.132 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.1 m . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.528 -0.748 . . . . 0.0 110.468 -179.87 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 120.811 0.339 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 174.76 46.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 175.24 115.03 0.39 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -130.35 -68.01 0.71 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.88 0.371 . . . . 0.0 110.56 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -169.77 116.29 0.52 Allowed Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.286 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -86.56 12.28 3.05 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.751 2.301 . . . . 0.0 112.306 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.63 -21.18 22.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.72 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.459 ' HA ' ' NZ ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -71.73 -30.47 65.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.374 . . . . 0.0 110.32 -179.856 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.45 -27.66 0.76 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.979 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.1 -50.17 6.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.364 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -53.29 -34.92 59.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.387 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -72.99 -32.76 65.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.332 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -21.86 40.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.298 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 mt -85.99 -44.12 12.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.367 . . . . 0.0 110.865 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -67.63 -36.29 80.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.708 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.7 -21.9 20.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.603 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 p -64.84 -15.06 61.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.96 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.3 -13.83 52.32 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.188 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.5 p -94.83 37.73 1.13 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.866 0.365 . . . . 0.0 110.449 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -83.65 -3.59 57.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.594 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -107.72 -18.09 13.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.445 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.476 ' O ' HG22 ' A' ' 22' ' ' ILE . 7.3 mm -88.68 -6.5 10.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 121.28 -0.168 . . . . 0.0 111.268 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.52 -41.48 36.15 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -70.84 -31.16 67.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.771 0.319 . . . . 0.0 110.456 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.812 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -60.59 -24.03 65.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.418 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.415 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.6 OUTLIER -61.53 -37.15 82.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.302 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.33 -50.14 55.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.263 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -43.01 86.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.041 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 25' ' ' ALA . 54.1 t -52.37 -29.16 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.277 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 26' ' ' TRP . 88.7 t -78.75 -35.88 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.245 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.1 t -70.8 -25.39 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.371 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 56.0 mt -79.18 -22.43 12.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.274 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.5 t -84.92 -35.2 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.92 -56.11 11.88 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.876 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -48.83 -29.05 4.18 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.078 0.466 . . . . 0.0 109.871 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.9 m -73.4 -49.15 28.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.093 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 82.9 mt -64.52 -27.04 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.397 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.51 -54.8 24.05 Favored Glycine 0 N--CA 1.459 0.199 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.876 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.4 mt -68.73 -46.71 79.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.515 -0.343 . . . . 0.0 110.687 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -43.33 65.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 0.0 110.404 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.498 HD23 ' HA ' ' A' ' 41' ' ' LEU . 13.0 mt -60.81 -30.12 69.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.933 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.592 ' CE2' HG21 ' A' ' 46' ' ' THR . 13.3 t80 -71.23 -53.61 13.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.173 -179.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 47' ' ' SER . 0.2 OUTLIER -56.32 -18.52 11.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.38 -0.373 . . . . 0.0 112.0 -179.162 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.462 ' CE ' ' HA ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -90.63 -56.47 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.706 0.288 . . . . 0.0 110.96 -179.442 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -62.73 -36.82 84.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.77 0.319 . . . . 0.0 111.04 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.592 HG21 ' CE2' ' A' ' 42' ' ' PHE . 34.7 p -86.9 11.08 14.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.321 -179.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -159.23 40.01 0.21 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.775 0.321 . . . . 0.0 110.827 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -50.9 -54.24 25.76 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.838 0.351 . . . . 0.0 110.279 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 53.63 87.89 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.263 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.394 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 66.76 99.18 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.36 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 60.94 144.68 0.01 OUTLIER Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.43 -24.23 59.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.727 0.298 . . . . 0.0 110.401 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -42.62 99.47 0.21 Allowed Pre-proline 0 N--CA 1.465 0.277 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -87.76 -20.36 2.0 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.986 2.457 . . . . 0.0 112.292 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.39 -18.02 47.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.064 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 9' ' ' ALA . 7.5 ptmm? -41.39 -33.24 0.39 Allowed 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.778 0.323 . . . . 0.0 111.148 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 8' ' ' LYS . . . -74.4 -64.14 1.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.321 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.417 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -56.8 -30.28 63.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.551 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.93 -43.96 94.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.915 0.388 . . . . 0.0 110.367 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -74.31 -41.05 61.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.03 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.95 -36.08 64.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.028 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.417 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 16.3 tp -69.63 -41.26 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.697 0.284 . . . . 0.0 110.645 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -53.33 -36.22 61.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.59 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.9 -14.12 61.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.26 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.3 p -106.18 -31.68 8.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.765 0.316 . . . . 0.0 110.572 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.34 66.39 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.996 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.2 t -69.81 -4.46 20.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.789 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -80.52 -0.31 36.97 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.707 0.289 . . . . 0.0 110.583 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -101.06 -0.55 36.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.383 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.5 mt -90.26 79.13 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.255 0 CA-C-O 121.325 0.583 . . . . 0.0 109.558 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.14 -44.77 0.4 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.28 -1.128 . . . . 0.0 110.28 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -92.95 -32.26 14.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.87 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -66.25 -26.59 67.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.341 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.706 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.58 -46.56 85.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.062 179.84 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.41 -29.01 68.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.371 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.5 mmm -84.77 -43.4 14.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.197 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.896 ' O ' HG23 ' A' ' 33' ' ' VAL . 62.1 t -52.6 -43.14 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.422 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 26' ' ' TRP . 45.3 t -61.34 -40.9 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.275 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 31' ' ' VAL . 92.4 t -72.86 -12.05 15.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.59 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.414 HG22 ' OG1' ' A' ' 36' ' ' THR . 41.6 mt -98.82 -38.85 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.474 0.178 . . . . 0.0 111.316 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 29' ' ' VAL . 20.3 t -46.26 -40.35 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 120.658 0.266 . . . . 0.0 111.295 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -89.5 -56.19 1.93 Allowed Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.82 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -49.02 -29.35 4.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.077 0.465 . . . . 0.0 109.749 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.427 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 16.9 m -65.07 -49.44 70.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.512 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 55.9 mt -59.79 -36.19 64.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.418 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.89 -70.03 1.14 Allowed Glycine 0 N--CA 1.459 0.215 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.82 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.0 mt -49.34 -35.44 8.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.607 -0.297 . . . . 0.0 110.911 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -60.76 -54.65 42.56 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.932 0.396 . . . . 0.0 110.083 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 41' ' ' LEU . 12.7 mt -51.84 -27.62 13.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.772 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 1.01 ' CE2' HG21 ' A' ' 46' ' ' THR . 16.6 t80 -71.12 -50.52 32.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.096 -179.323 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -19.37 16.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.156 -0.474 . . . . 0.0 112.276 -178.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.409 ' HD3' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -83.92 -40.81 18.1 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 120.71 0.29 . . . . 0.0 110.874 -179.098 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -83.64 -41.56 17.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.321 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 1.01 HG21 ' CE2' ' A' ' 42' ' ' PHE . 46.4 p -83.77 -43.59 15.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.0 0.429 . . . . 0.0 110.233 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.67 52.44 0.73 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -50.58 -48.47 57.63 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.499 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.59 -38.96 33.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.609 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.9 p . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.478 -0.772 . . . . 0.0 110.446 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -50.38 121.2 5.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.626 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 49.01 -161.56 0.63 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.49 -73.8 0.68 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.943 0.401 . . . . 0.0 110.473 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.7 t0 62.1 120.93 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.121 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -81.93 -38.86 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.389 2.06 . . . . 0.0 112.215 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 41.92 30.4 0.17 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.984 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 0.0 OUTLIER 33.82 74.59 0.06 Allowed 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.42 0.688 . . . . 0.0 111.85 179.676 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.35 -73.44 0.12 Allowed 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.528 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.42 -28.67 55.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.535 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.429 ' HB3' ' HB3' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -75.17 -49.89 18.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.567 -179.853 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 17.2 t-20 -64.31 -26.59 68.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.324 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -29.34 67.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.973 0.416 . . . . 0.0 110.085 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -73.66 -38.23 65.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.543 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -71.65 -34.78 70.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.748 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.09 -24.42 6.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 t -72.73 -13.69 61.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -94.76 63.8 2.86 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.193 0.52 . . . . 0.0 109.966 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.2 p -81.22 3.39 23.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -96.18 0.41 51.13 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 120.557 0.218 . . . . 0.0 111.207 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -106.51 2.75 26.46 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.9 mt -91.1 76.55 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.222 0.534 . . . . 0.0 109.669 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.35 -45.31 0.35 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.46 -1.056 . . . . 0.0 110.46 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -84.51 -33.57 23.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.336 . . . . 0.0 110.275 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.87 -21.46 66.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.495 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.492 ' O ' HG23 ' A' ' 30' ' ' VAL . 2.2 m95 -68.14 -37.08 80.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.249 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.419 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -53.4 -32.93 51.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.48 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 mmt -80.86 -51.62 8.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.139 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.557 ' O ' HG23 ' A' ' 33' ' ' VAL . 94.9 t -49.98 -25.59 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.481 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 26' ' ' TRP . 61.1 t -79.91 -37.02 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.015 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 27' ' ' ALA . 76.7 t -75.72 -19.94 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.703 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 38.6 mt -90.72 -40.07 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.049 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 29' ' ' VAL . 55.7 t -72.4 -53.08 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.87 -26.73 5.93 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.447 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -68.53 -23.95 64.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.632 0.254 . . . . 0.0 110.525 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 33' ' ' VAL . 0.6 OUTLIER -82.64 -46.6 13.05 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.421 ' N ' ' CG2' ' A' ' 36' ' ' THR . 56.1 mt -51.38 -30.69 10.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.979 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.87 -68.75 1.54 Allowed Glycine 0 C--N 1.329 0.147 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.447 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.3 mt -57.9 -34.45 48.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.728 0.299 . . . . 0.0 110.458 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -62.54 -50.96 69.28 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.905 0.384 . . . . 0.0 110.016 179.676 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 41' ' ' LEU . 12.4 mt -55.22 -23.47 22.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.363 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -75.76 -31.61 59.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -83.02 -14.05 54.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.403 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.27 -55.23 4.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.828 0.347 . . . . 0.0 110.725 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -57.03 -25.59 58.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.663 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.8 p -91.2 -20.1 22.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.041 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.6 t -70.79 -24.22 62.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.737 0.303 . . . . 0.0 110.408 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -44.98 -28.55 0.69 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.158 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.24 -62.89 0.68 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.459 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.474 -0.774 . . . . 0.0 110.439 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 120.782 0.325 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 52.6 53.21 12.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.389 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.52 -104.66 0.03 OUTLIER Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -68.5 63.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.853 0.358 . . . . 0.0 110.731 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -56.19 124.25 59.01 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.26 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -82.51 -12.53 10.13 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.531 2.154 . . . . 0.0 112.66 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.63 -25.89 12.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.709 0.29 . . . . 0.0 110.706 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.418 ' NZ ' ' HB3' ' A' ' 8' ' ' LYS . 4.0 mtpp -61.28 -25.14 66.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.644 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.23 -78.65 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.594 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.65 -54.66 11.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.99 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -50.69 -37.54 41.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.419 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -71.59 -35.94 70.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.356 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.63 -29.57 70.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.756 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.6 tp -78.32 -31.13 48.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.796 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -92.66 -37.27 12.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.765 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.55 -6.34 40.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.306 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 m -73.84 -48.07 33.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.777 0.322 . . . . 0.0 110.572 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.45 29.91 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.739 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.665 ' O ' HG22 ' A' ' 19' ' ' THR . 64.5 m -98.99 34.33 2.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.075 0.464 . . . . 0.0 110.315 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.31 -14.84 34.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.269 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -104.39 -22.21 13.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.624 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.514 ' HB ' HG23 ' A' ' 19' ' ' THR . 2.0 mm -80.27 -21.54 11.65 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.229 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.9 -12.56 57.51 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -71.98 -34.79 69.22 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.647 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -70.68 -26.07 63.27 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -62.52 -30.89 71.62 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.897 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.599 ' O ' HG12 ' A' ' 30' ' ' VAL . . . -69.91 -28.57 65.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.08 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 mmt -85.94 -45.75 11.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.859 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 25' ' ' ALA . 98.0 t -53.26 -41.79 44.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.357 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.599 HG12 ' O ' ' A' ' 27' ' ' ALA . 3.0 p -59.86 -31.93 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.982 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.5 t -77.44 -25.65 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.687 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.7 mt -88.04 -37.22 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.011 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.0 t -83.07 -26.65 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.48 -39.25 69.21 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.43 -32.45 49.83 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.409 ' HA ' HG12 ' A' ' 39' ' ' ILE . 15.7 m -67.34 -48.12 68.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.227 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.3 mt -55.42 -31.04 26.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.49 -20.66 73.9 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.437 ' N ' HD13 ' A' ' 39' ' ' ILE . 2.3 mm -91.05 -45.57 14.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.446 ' CA ' ' HE3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -56.95 -46.66 81.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.481 179.04 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.6 mt -55.76 -35.92 66.75 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.508 ' CD1' ' HA ' ' A' ' 46' ' ' THR . 0.5 OUTLIER -67.38 -50.69 58.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.848 179.533 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -15.09 42.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.321 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.34 -59.41 1.76 Allowed 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.412 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 5.3 m-85 -83.69 -34.06 25.03 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 120.662 0.268 . . . . 0.0 110.745 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.508 ' HA ' ' CD1' ' A' ' 42' ' ' PHE . 0.9 OUTLIER 40.37 59.64 2.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.951 0.405 . . . . 0.0 111.565 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 p 49.03 24.85 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.303 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -47.05 -55.57 8.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.843 0.354 . . . . 0.0 110.593 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.54 156.23 0.06 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.7 p . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.439 -0.791 . . . . 0.0 110.531 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 177.94 42.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.383 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -103.75 128.13 9.39 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.68 -34.19 72.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.337 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 45.5 t0 179.5 84.35 0.18 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.393 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.596 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 47.8 Cg_endo -81.4 -17.52 8.86 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.732 2.288 . . . . 0.0 112.38 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . 85.78 -48.22 0.07 Allowed 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.021 0.528 . . . . 0.0 110.296 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -32.34 73.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.426 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.441 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -53.12 -73.2 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.717 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.17 -33.54 3.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.938 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.67 -39.41 62.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.523 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -74.66 -27.48 60.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.56 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.35 -29.86 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.29 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.3 tp -70.53 -42.48 71.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.382 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -68.42 -35.26 77.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.594 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.33 -6.18 44.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.085 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 m -118.91 55.54 0.92 Allowed 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.14 59.47 3.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.334 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.0 t -91.26 23.22 3.43 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.119 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -85.51 0.0 53.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.018 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -100.55 -21.49 15.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.969 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 mm -83.95 -30.42 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.379 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -46.51 -28.83 3.64 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -73.95 -22.11 59.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.674 0.273 . . . . 0.0 111.13 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.637 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -76.94 -9.35 58.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.42 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.512 ' O ' HG23 ' A' ' 30' ' ' VAL . 4.7 m95 -82.98 -42.62 17.36 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.788 0.328 . . . . 0.0 110.57 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.706 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -54.85 -26.43 35.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.551 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.8 mmm -84.97 -34.39 22.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.2 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 25' ' ' ALA . 84.1 t -74.4 -31.54 28.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.179 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 26' ' ' TRP . 75.2 t -69.95 -42.05 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.038 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 27' ' ' ALA . 98.8 t -64.76 -21.68 29.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.637 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.2 mt -100.45 -62.63 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.607 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.416 ' O ' ' HB ' ' A' ' 36' ' ' THR . 70.3 t -77.71 -49.02 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.652 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.97 -49.21 59.8 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.402 ' O ' HG12 ' A' ' 39' ' ' ILE . . . -48.81 -26.97 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.925 0.393 . . . . 0.0 110.414 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 3.1 m -85.99 -55.22 4.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.982 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.6 mt -51.89 -28.16 9.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.14 -21.66 77.13 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.431 ' N ' HD13 ' A' ' 39' ' ' ILE . 2.7 mm -91.0 -48.07 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.449 ' CA ' ' HE3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -53.9 -46.5 71.44 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.898 179.574 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 41' ' ' LEU . 18.8 mt -58.18 -28.88 65.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.348 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.609 ' CE2' HG21 ' A' ' 46' ' ' THR . 9.7 t80 -74.68 -52.97 10.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.559 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -24.43 64.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.558 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 5.8 tttp -80.8 -37.5 30.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.737 0.303 . . . . 0.0 110.309 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -87.08 -37.75 17.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.609 HG21 ' CE2' ' A' ' 42' ' ' PHE . 44.2 p -86.02 -45.59 11.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.544 -178.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.72 35.95 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.108 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.551 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 10.6 mtmt -47.68 -64.55 0.76 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.946 0.403 . . . . 0.0 110.563 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 167.46 54.35 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.314 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.542 -0.742 . . . . 0.0 110.365 -179.914 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 120.869 0.366 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 61.94 -179.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.87 150.79 38.79 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -140.07 58.82 1.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.801 0.334 . . . . 0.0 110.3 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -178.85 94.84 0.21 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.393 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -81.78 -22.99 5.0 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.764 2.31 . . . . 0.0 112.203 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 57.33 25.82 11.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.245 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.438 ' NZ ' ' HB3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 37.07 81.37 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 123.265 0.626 . . . . 0.0 112.066 179.663 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.62 -44.29 9.13 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.118 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.79 -25.01 48.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.257 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.58 -57.39 3.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.273 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -54.31 -45.84 72.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.206 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.19 -28.47 69.16 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.057 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.675 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -62.77 -43.6 98.38 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -66.72 -39.07 87.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.152 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.32 15.95 9.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.122 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.2 m -139.61 62.65 1.51 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.803 0.335 . . . . 0.0 110.375 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.34 -1.97 58.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.173 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 t -95.4 27.51 3.32 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.929 0.395 . . . . 0.0 110.593 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -86.49 -18.76 30.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.946 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -90.61 -21.39 21.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.6 mm -87.92 -11.2 10.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.242 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.64 -44.5 63.21 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -70.9 -24.2 62.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.691 0.281 . . . . 0.0 110.389 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.719 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -65.93 -30.35 70.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.24 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.889 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -56.5 -27.01 56.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.287 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.82 -45.92 55.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.37 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -38.61 71.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.392 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 25' ' ' ALA . 99.4 t -57.88 -35.71 52.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.433 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 26' ' ' TRP . 93.1 t -65.68 -35.88 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.4 t -73.01 -20.0 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 67.2 mt -93.92 -47.84 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.402 ' O ' ' HB ' ' A' ' 36' ' ' THR . 70.0 t -68.02 -25.37 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.421 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.5 -53.17 26.15 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.78 -29.04 1.74 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.099 0.476 . . . . 0.0 110.232 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 17.4 m -73.5 -50.35 21.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.01 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.0 mm -51.88 -36.39 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.861 0.362 . . . . 0.0 110.219 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -53.62 -69.44 1.22 Allowed Glycine 0 C--N 1.329 0.165 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.2 mt -48.65 -44.32 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.445 -0.378 . . . . 0.0 110.664 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.408 ' HE3' ' CA ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -53.08 -50.6 64.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.798 0.332 . . . . 0.0 110.285 179.573 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.5 mt -57.28 -27.14 61.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.52 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.528 ' CE1' ' HA ' ' A' ' 46' ' ' THR . 2.2 t80 -72.61 -43.17 63.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.125 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -59.48 -17.35 30.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.051 -179.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.18 -55.08 3.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.565 0.222 . . . . 0.0 110.973 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.409 ' C ' ' CG2' ' A' ' 46' ' ' THR . 5.7 m-85 -81.92 -45.97 14.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.147 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.528 ' HA ' ' CE1' ' A' ' 42' ' ' PHE . 1.0 OUTLIER 38.84 44.49 0.84 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.063 0.459 . . . . 0.0 111.408 179.592 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 p 49.67 66.22 1.19 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.708 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 45' ' ' PHE . 13.1 mmtp -49.39 -47.87 47.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.657 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.15 -84.73 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.225 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.3 p . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.543 -0.741 . . . . 0.0 110.442 -179.911 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 120.912 0.387 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -49.47 129.79 19.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.55 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -98.46 -16.77 30.9 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.481 -0.648 . . . . 0.0 111.481 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -116.21 75.74 0.98 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.753 0.311 . . . . 0.0 110.535 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -106.6 100.61 31.54 Favored Pre-proline 0 N--CA 1.453 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.484 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -83.74 11.24 3.37 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.738 2.292 . . . . 0.0 112.646 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.49 -24.12 12.19 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.674 0.274 . . . . 0.0 110.685 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.77 -35.81 57.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.573 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.37 -68.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.489 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.79 -40.1 62.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.497 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -60.86 -37.75 83.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.311 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -68.7 -37.08 79.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.129 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.15 -27.66 68.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.94 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 17' ' ' SER . 3.1 tp -63.78 -29.96 71.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.274 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -48.86 -25.8 2.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.791 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.43 16.56 6.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 14' ' ' LEU . 3.8 m -165.12 67.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.63 42.12 1.08 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.812 0.339 . . . . 0.0 111.276 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.6 t -95.52 23.42 6.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.454 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.422 ' O ' ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -90.21 2.22 55.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.072 -179.821 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -124.11 -15.74 6.71 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.413 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 13.5 mt -91.61 -41.8 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 26' ' ' TRP . . . -59.63 -60.21 9.16 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.545 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.422 ' CE2' ' O ' ' A' ' 20' ' ' GLU . 32.7 m-85 -51.19 -29.78 15.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.579 0.228 . . . . 0.0 110.929 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.741 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.37 -22.67 61.7 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.411 ' HB2' ' O ' ' A' ' 23' ' ' GLY . 5.9 m95 -81.43 -52.21 7.5 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.144 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 30' ' ' VAL . . . -52.22 -25.44 9.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.142 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.9 mmm -81.25 -37.97 27.69 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 25' ' ' ALA . 54.2 t -60.94 -30.42 47.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.014 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -75.31 -29.74 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.592 -179.85 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.7 t -82.57 -23.2 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.902 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.5 mt -88.79 -26.14 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.345 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 29' ' ' VAL . 25.5 t -78.25 -31.36 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.15 -52.46 3.42 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.696 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -49.9 -32.33 14.38 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.359 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.2 m -63.92 -41.2 97.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.473 -0.785 . . . . 0.0 108.997 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 58.5 mt -75.88 -26.05 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.901 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.71 -50.12 44.65 Favored Glycine 0 C--N 1.332 0.309 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.696 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.8 mt -68.94 -39.72 80.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.513 -0.343 . . . . 0.0 110.746 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.446 ' CA ' ' HE3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -60.81 -37.88 83.5 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 179.596 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 41' ' ' LEU . 12.9 mt -60.23 -32.83 71.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.239 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.466 ' CD1' ' C ' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -69.18 -56.27 8.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.006 0.431 . . . . 0.0 109.859 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.12 -27.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.983 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.27 -50.69 4.46 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.627 0.251 . . . . 0.0 111.251 -179.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.424 ' C ' ' CG2' ' A' ' 46' ' ' THR . 6.0 m-85 -71.61 -44.67 64.0 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -179.342 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.434 ' HA ' ' CD1' ' A' ' 42' ' ' PHE . 1.2 t 39.58 34.51 0.15 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.245 0.545 . . . . 0.0 111.329 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 49.24 53.82 12.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.83 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 45' ' ' PHE . 3.0 mtpm? -51.26 -47.36 62.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.277 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.98 160.5 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.025 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.543 -0.741 . . . . 0.0 110.499 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 176.92 110.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.295 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 104.9 -136.92 13.38 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.07 85.1 2.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.847 0.356 . . . . 0.0 110.119 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.1 t0 71.68 123.29 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.102 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -81.41 9.14 4.0 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.483 2.122 . . . . 0.0 112.791 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.42 ' HB1' ' HZ2' ' A' ' 8' ' ' LYS . . . -56.26 -58.08 9.48 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.72 0.295 . . . . 0.0 110.507 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.42 ' HZ2' ' HB1' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -103.07 -39.63 6.81 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.977 -179.567 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.66 -84.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.453 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.89 -29.58 1.44 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.283 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.411 ' HB2' ' O ' ' A' ' 7' ' ' ALA . 1.0 OUTLIER -67.61 -36.81 81.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.798 0.332 . . . . 0.0 110.613 -179.7 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -79.9 -36.38 36.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.151 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.21 -31.33 55.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.713 0.292 . . . . 0.0 110.626 -179.61 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -74.74 -30.7 61.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.7 -179.516 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -48.43 -31.83 6.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.71 15.41 8.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.323 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.02 69.05 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.97 28.54 2.39 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.869 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 66.9 p -94.84 0.8 55.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.039 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.485 ' O ' ' CE1' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -94.87 -8.95 35.75 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.684 0.278 . . . . 0.0 111.607 -179.736 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -102.38 -17.95 15.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.108 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.3 mm -77.12 -36.31 24.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.15 -10.51 59.56 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.485 ' CE1' ' O ' ' A' ' 20' ' ' GLU . 5.5 m-30 -67.81 -36.41 80.37 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.901 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -69.66 -25.07 63.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.085 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -67.41 -45.63 75.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.411 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.886 ' O ' HG12 ' A' ' 30' ' ' VAL . . . -63.17 -51.04 67.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.059 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -38.7 70.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 25' ' ' ALA . 23.7 t -53.09 -45.49 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.886 HG12 ' O ' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -54.63 -25.33 14.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.775 -179.675 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.9 t -88.45 -19.74 7.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.616 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 25.7 mt -83.94 -34.14 9.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.819 0.342 . . . . 0.0 110.389 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 29' ' ' VAL . 59.1 t -56.98 -30.86 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.559 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 37' ' ' ILE . . . -71.24 -54.76 8.54 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.462 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -47.48 -29.45 2.74 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.189 0.518 . . . . 0.0 109.987 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.5 m -70.7 -39.45 73.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.775 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' GLY . 37.9 mt -64.17 -32.46 57.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.228 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.43 -69.85 1.18 Allowed Glycine 0 C--N 1.33 0.195 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.462 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.5 mt -49.35 -43.38 16.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.444 -0.378 . . . . 0.0 110.722 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -52.59 63.94 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.903 0.382 . . . . 0.0 110.4 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.2 mt -58.54 -28.33 65.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.751 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.499 ' CD1' ' HA ' ' A' ' 46' ' ' THR . 2.2 t80 -67.62 -43.82 79.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -60.5 -16.1 33.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.559 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.97 -62.31 1.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.465 0.174 . . . . 0.0 110.555 -179.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.446 ' C ' HG22 ' A' ' 46' ' ' THR . 5.3 m-85 -83.15 -42.42 17.37 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 121.19 -0.204 . . . . 0.0 110.771 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.499 ' HA ' ' CD1' ' A' ' 42' ' ' PHE . 2.6 t 40.8 31.0 0.11 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.884 0.373 . . . . 0.0 111.208 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.2 t 65.03 53.28 1.4 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.492 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mmtm -46.22 -57.63 4.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.756 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 56.01 72.96 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.329 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.444 -0.789 . . . . 0.0 110.409 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 67.82 46.22 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.56 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 175.26 179.4 45.79 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -147.99 56.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.708 0.29 . . . . 0.0 110.356 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -179.81 99.92 0.19 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.491 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.52 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 46.5 Cg_endo -80.74 -21.39 7.15 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.633 2.222 . . . . 0.0 112.226 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . 73.13 4.37 4.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.418 ' NZ ' ' HB3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -122.22 -54.63 1.89 Allowed 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.05 -63.25 1.21 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.286 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.16 -53.78 51.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.204 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -52.28 -34.07 44.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.114 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -74.78 -37.62 62.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.132 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.08 -27.79 68.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.524 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.6 tp -72.66 -30.12 64.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.689 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -89.05 -47.05 8.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.27 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.636 ' HA ' HG22 ' A' ' 19' ' ' THR . . . -54.98 -22.33 14.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.888 0.375 . . . . 0.0 110.698 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.8 m -61.88 -51.08 69.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.103 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.71 -39.29 88.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.985 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.636 HG22 ' HA ' ' A' ' 16' ' ' ALA . 4.9 t -97.36 28.03 3.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.268 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -84.99 -22.68 29.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -89.29 -24.54 22.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.307 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.485 ' N ' ' CD1' ' A' ' 22' ' ' ILE . 1.1 mp -87.11 -44.0 16.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.256 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 26' ' ' TRP . . . -39.15 -33.5 0.27 Allowed Glycine 0 CA--C 1.527 0.841 0 CA-C-N 116.407 -0.36 . . . . 0.0 112.34 -179.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -57.07 -27.78 62.02 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 122.623 -0.339 . . . . 0.0 111.0 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.52 -5.65 41.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.603 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.441 ' O ' HG23 ' A' ' 30' ' ' VAL . 3.5 m95 -90.68 -51.58 5.31 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.775 0.321 . . . . 0.0 111.08 -179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -48.71 -26.62 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.701 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.8 mmt -77.37 -45.03 27.32 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.9 t -66.41 -26.39 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.336 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 26' ' ' TRP . 79.9 t -73.27 -33.28 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.253 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 27' ' ' ALA . 75.1 t -78.22 -21.82 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.78 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.8 mt -92.72 -39.2 11.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.578 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 51.6 t -83.41 -26.36 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.482 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.04 -48.21 82.25 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.66 -27.01 2.57 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.922 0.391 . . . . 0.0 110.221 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.8 m -83.32 -53.1 5.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.288 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 69.3 mt -53.83 -28.33 16.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.73 -51.36 55.54 Favored Glycine 0 C--N 1.33 0.206 0 N-CA-C 110.148 -1.181 . . . . 0.0 110.148 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.4 mt -69.41 -55.61 14.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.106 -0.547 . . . . 0.0 110.596 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.44 ' CA ' ' HE3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -47.65 -35.34 9.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.803 0.335 . . . . 0.0 110.358 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 41' ' ' LEU . 12.7 mt -61.0 -37.5 82.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.231 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.566 ' CZ ' HG21 ' A' ' 46' ' ' THR . 79.2 t80 -65.74 -53.57 38.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.733 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.51 -24.03 4.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.377 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -89.78 -69.37 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.345 -179.502 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.443 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 13.2 m-85 -46.74 -27.26 1.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.618 -179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.566 HG21 ' CZ ' ' A' ' 42' ' ' PHE . 52.4 p -88.38 -21.57 24.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.976 -178.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 m -87.36 -27.03 23.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.736 0.303 . . . . 0.0 110.546 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.53 -59.49 2.69 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.103 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 54.73 72.83 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.89 0.376 . . . . 0.0 110.241 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.438 -0.792 . . . . 0.0 110.358 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 57.99 76.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.298 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 170.64 120.07 0.53 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -122.88 -73.18 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.493 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -54.87 107.08 0.77 Allowed Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.668 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.699 ' CG ' ' HB3' ' A' ' 10' ' ' ALA . 43.2 Cg_endo -85.97 -41.68 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.824 2.349 . . . . 0.0 112.244 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . 84.06 -46.73 0.11 Allowed 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 122.914 0.486 . . . . 0.0 111.213 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.57 -54.62 0.78 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.592 -179.033 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -37.75 -82.55 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.924 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.699 ' HB3' ' CG ' ' A' ' 6' ' ' PRO . . . -46.83 -49.56 19.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.24 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -49.95 -43.2 49.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.237 -179.341 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.69 -24.17 61.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.722 0.296 . . . . 0.0 111.091 -179.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.422 ' OG ' ' HA ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -70.25 -8.4 49.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.779 -179.496 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.42 HD22 ' N ' ' A' ' 14' ' ' LEU . 4.0 mm? -97.3 -52.75 3.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.419 0.628 . . . . 0.0 109.723 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -43.21 -45.21 5.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.084 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.74 25.55 5.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.172 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 18' ' ' ALA . 9.0 p -141.91 -58.05 0.47 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.89 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.41 ' N ' ' OG ' ' A' ' 17' ' ' SER . . . -87.09 55.36 3.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.805 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.5 t -98.47 16.47 21.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.021 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.43 -16.43 23.42 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.779 0.323 . . . . 0.0 111.072 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -110.0 -19.39 13.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.314 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 mt -91.47 77.7 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.042 0.449 . . . . 0.0 109.802 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -172.64 -55.83 0.05 OUTLIER Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -59.0 -23.58 62.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.738 0.304 . . . . 0.0 110.664 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.826 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -76.78 -10.4 59.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.385 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -79.46 -48.48 13.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.762 0.315 . . . . 0.0 110.623 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.22 -51.6 57.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.472 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -45.39 76.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.585 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.826 HG23 ' O ' ' A' ' 25' ' ' ALA . 69.5 t -53.92 -36.76 31.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.411 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.2 -24.58 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.476 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 75.2 t -85.92 -27.06 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-O 121.009 0.433 . . . . 0.0 110.25 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.3 mt -89.62 -20.31 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.702 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 37' ' ' ILE . 1.7 t -55.53 -49.46 73.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.139 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.39 -60.89 5.5 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.792 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -46.87 -28.27 1.52 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.025 0.44 . . . . 0.0 110.172 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.9 m -71.54 -45.91 61.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.057 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 33' ' ' VAL . 61.3 mt -56.12 -46.53 81.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.259 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.16 -72.01 0.55 Allowed Glycine 0 CA--C 1.518 0.223 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.792 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.1 mt -48.05 -41.21 9.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.704 -0.248 . . . . 0.0 110.908 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -49.71 74.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.017 0.437 . . . . 0.0 110.446 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 41' ' ' LEU . 20.9 mt -54.74 -28.23 46.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.773 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.454 ' O ' HG23 ' A' ' 46' ' ' THR . 4.6 t80 -73.79 -54.34 8.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.277 -179.285 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.95 -19.52 4.76 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.132 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.76 -60.28 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.166 -179.501 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -61.52 -27.01 68.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.635 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 42' ' ' PHE . 30.6 p -91.8 5.86 48.27 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.375 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.4 t -88.87 -31.28 18.34 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.672 0.272 . . . . 0.0 110.564 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 50' ' ' SER . 38.5 mtmt -43.06 -59.75 1.91 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.144 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 53.27 -87.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.598 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 48' ' ' LYS . 12.6 t . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.531 -0.747 . . . . 0.0 110.424 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.404 ' O ' ' HG3' ' A' ' 2' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 1' ' ' ALA . 15.1 pt-20 40.98 95.1 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.19 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 63.17 136.21 0.01 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -161.01 86.19 0.7 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.793 0.33 . . . . 0.0 110.468 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -173.0 77.08 0.41 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.52 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -85.61 -24.88 1.75 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.006 2.47 . . . . 0.0 112.192 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 9' ' ' ALA . . . 60.98 33.8 19.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.259 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 31.97 37.42 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.668 0.747 . . . . 0.0 112.561 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 7' ' ' ALA . . . -89.48 -65.86 0.98 Allowed 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.802 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' HA ' ' OG ' ' A' ' 13' ' ' SER . . . -63.82 -47.13 82.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.794 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -48.9 -41.94 35.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.6 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -71.15 -46.05 62.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.266 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.401 ' OG ' ' HA ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -52.27 -33.45 41.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.273 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.2 tp -63.75 -33.93 76.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.031 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -63.73 -36.3 83.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.541 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.07 22.81 8.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.756 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.0 p -104.3 -42.05 5.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.865 0.364 . . . . 0.0 110.596 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.67 -20.71 25.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.8 p -99.87 22.08 11.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.706 0.289 . . . . 0.0 110.88 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -90.64 -15.72 29.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 0.0 111.253 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -104.5 -21.99 13.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.176 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 22' ' ' ILE . 8.3 mm -83.8 -8.56 11.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.53 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 26' ' ' TRP . . . -70.07 -25.64 75.34 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -56.79 -25.21 55.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.897 0.379 . . . . 0.0 110.085 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.22 -18.4 32.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.691 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.429 ' HB2' ' O ' ' A' ' 23' ' ' GLY . 1.3 m95 -65.59 -30.43 71.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.809 0.338 . . . . 0.0 110.434 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.443 ' O ' HG12 ' A' ' 30' ' ' VAL . . . -50.08 -51.24 44.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.544 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.67 -50.7 42.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.884 0.373 . . . . 0.0 110.12 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.2 t -62.16 -38.11 80.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.51 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.443 HG12 ' O ' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -61.69 -32.86 55.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.941 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 27' ' ' ALA . 95.9 t -73.58 -13.77 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.925 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 67.6 mt -94.76 -39.52 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.793 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.409 ' O ' ' HB ' ' A' ' 36' ' ' THR . 13.1 t -88.09 -35.66 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.4 -40.6 97.8 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.879 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -51.49 -31.56 24.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.004 0.431 . . . . 0.0 110.113 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 4.6 m -75.07 -44.8 45.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.969 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.6 mt -63.12 -38.25 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.103 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.83 -65.67 3.36 Favored Glycine 0 C--N 1.329 0.15 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.879 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.3 mt -56.04 -43.75 76.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.593 -0.303 . . . . 0.0 110.789 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.59 -36.45 64.43 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.736 0.303 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 41' ' ' LEU . 15.7 mt -66.6 -44.67 81.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.656 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.505 ' CD1' ' HA ' ' A' ' 46' ' ' THR . 2.2 t80 -53.11 -49.53 66.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.844 0.354 . . . . 0.0 110.628 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.92 -22.45 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.555 -179.382 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.463 ' HE3' ' HA ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -95.48 -74.12 0.56 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.518 0.199 . . . . 0.0 110.51 -179.648 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.438 ' C ' HG22 ' A' ' 46' ' ' THR . 5.8 m-85 -69.57 -38.87 77.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.832 -0.167 . . . . 0.0 110.949 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.505 ' HA ' ' CD1' ' A' ' 42' ' ' PHE . 2.2 t 42.91 41.6 2.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.814 0.34 . . . . 0.0 111.577 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 69.59 15.64 8.16 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.893 178.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.417 ' HG2' HG23 ' A' ' 46' ' ' THR . 3.7 mmtm -51.38 -53.14 39.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.884 0.373 . . . . 0.0 110.389 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.64 60.61 1.01 Allowed 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.61 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.306 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 120.788 0.328 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.51 121.42 4.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.701 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -120.16 21.41 8.81 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.36 -36.77 74.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.802 0.334 . . . . 0.0 110.382 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.8 t0 61.31 120.96 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.322 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.448 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 48.9 Cg_endo -82.31 9.54 3.95 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.547 2.164 . . . . 0.0 112.707 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.62 -66.24 0.56 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.816 0.341 . . . . 0.0 110.434 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -58.54 -27.71 64.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.65 -179.832 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.463 ' N ' ' HG3' ' A' ' 8' ' ' LYS . . . -51.16 -53.39 35.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.5 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.17 -47.08 78.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.366 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.62 -34.38 78.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.229 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -77.68 -31.22 52.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.293 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.53 -28.83 69.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.014 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -68.18 -26.44 65.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.205 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -86.78 -36.09 18.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.683 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.12 16.77 9.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.234 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.7 t -94.84 10.51 35.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.774 -0.194 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.661 ' O ' HD13 ' A' ' 22' ' ' ILE . . . -100.42 38.98 1.41 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.826 0.346 . . . . 0.0 110.614 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.8 p -87.77 -8.9 55.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.225 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -92.8 -10.87 35.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.747 0.308 . . . . 0.0 111.768 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -92.09 -15.29 27.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.16 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.661 HD13 ' O ' ' A' ' 18' ' ' ALA . 1.1 mp -89.33 -46.65 15.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.057 -178.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -42.11 -32.32 1.04 Allowed Glycine 0 CA--C 1.528 0.86 0 N-CA-C 112.334 -0.306 . . . . 0.0 112.334 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -71.94 -34.97 69.46 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.659 -0.318 . . . . 0.0 110.95 -179.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.97 -19.65 19.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -77.91 -48.56 16.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.665 0.269 . . . . 0.0 110.836 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.54 -52.95 63.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.345 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -35.18 59.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.059 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.478 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -54.82 -49.2 71.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.7 t -56.51 -48.28 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.614 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.9 t -58.56 -19.13 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.967 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.8 mt -95.76 -44.1 12.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.459 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 29' ' ' VAL . 95.1 t -63.24 -28.02 44.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-O 120.792 0.33 . . . . 0.0 110.42 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.59 -52.9 6.92 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.416 ' O ' HG12 ' A' ' 39' ' ' ILE . . . -47.93 -30.3 4.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.087 0.47 . . . . 0.0 109.847 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.7 m -65.36 -47.37 76.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.606 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.1 mm -55.33 -21.53 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.874 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.23 -21.86 50.44 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.439 ' N ' HD13 ' A' ' 39' ' ' ILE . 1.8 mm -91.62 -35.71 7.26 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.351 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -45.75 90.96 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.774 179.378 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.1 mt -56.76 -25.34 54.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.266 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -86.63 -38.86 16.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.411 ' HA ' ' OG1' ' A' ' 46' ' ' THR . 2.7 mmtp -67.97 -48.07 66.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.805 0.336 . . . . 0.0 110.855 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.458 ' HE2' ' N ' ' A' ' 45' ' ' PHE . 1.2 tmmm? -44.26 -51.7 8.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.913 -179.292 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.458 ' N ' ' HE2' ' A' ' 44' ' ' LYS . 9.7 m-85 -69.52 -40.16 77.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.878 0.37 . . . . 0.0 110.468 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 43' ' ' LYS . 69.6 p -89.87 58.85 4.37 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.993 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 49' ' ' ALA . 5.1 p -161.78 -52.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.021 -179.561 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -64.34 69.54 0.03 OUTLIER 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 121.46 0.647 . . . . 0.0 111.152 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 47' ' ' SER . . . -171.81 143.13 1.61 Allowed 'General case' 0 C--N 1.302 -1.489 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.543 178.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.458 -0.782 . . . . 0.0 110.477 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -49.39 156.28 0.63 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.584 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 53.63 177.81 0.1 OUTLIER Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -75.18 -57.98 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.022 0.439 . . . . 0.0 110.203 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.8 t70 58.54 97.96 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.379 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -84.64 8.79 4.43 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.814 2.343 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.65 -67.3 0.77 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.841 0.353 . . . . 0.0 110.114 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.01 -29.99 69.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.332 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.02 -65.7 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.885 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.15 -39.03 19.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.615 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -68.4 -37.46 80.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.375 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -77.35 -48.58 16.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.712 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 17' ' ' SER . 0.5 OUTLIER -62.67 -31.07 71.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.507 -179.761 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.571 HD22 ' O ' ' A' ' 14' ' ' LEU . 1.4 tm? -52.14 -40.75 61.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.093 0.473 . . . . 0.0 110.139 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -72.61 -36.0 67.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.395 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -105.54 24.48 12.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.714 0.292 . . . . 0.0 111.23 -179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 13' ' ' SER . 10.1 t -112.39 -38.68 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.89 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.91 -23.19 59.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.115 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.1 p -100.46 24.99 8.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.57 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.407 ' OE1' ' CA ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -86.77 -13.1 46.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.347 -179.891 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -108.1 -18.96 13.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.274 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.0 mt -91.25 78.24 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.101 0.477 . . . . 0.0 109.768 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.67 -49.75 0.18 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -78.59 -24.46 45.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.693 0.282 . . . . 0.0 110.607 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.18 -24.66 60.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.515 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.477 ' O ' HG23 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -69.67 -40.03 76.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.346 -179.811 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.76 -46.16 70.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.307 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 ttp -58.72 -46.41 87.4 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 120.945 0.402 . . . . 0.0 110.305 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.5 t -55.71 -39.76 57.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.974 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 26' ' ' TRP . 91.4 t -64.58 -27.35 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.073 179.626 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.2 t -79.1 -27.4 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.284 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.2 mt -75.0 -22.47 17.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.915 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.528 ' O ' HG22 ' A' ' 36' ' ' THR . 18.0 t -68.02 -56.9 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.65 -27.14 5.88 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.5 -28.68 69.82 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.528 HG22 ' O ' ' A' ' 33' ' ' VAL . 0.9 OUTLIER -67.68 -42.12 82.6 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.552 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.7 mm -58.66 -25.52 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.404 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.02 -61.8 3.84 Favored Glycine 0 C--N 1.33 0.246 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.4 mt -58.97 -39.52 78.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.575 -0.313 . . . . 0.0 110.287 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.459 ' N ' ' HE3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -57.42 -47.8 80.81 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.453 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.9 mt -63.08 -39.23 94.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.644 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -54.03 -35.05 61.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.04 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -74.12 -56.92 4.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.427 -178.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.4 ' HE2' ' HB3' ' A' ' 44' ' ' LYS . 4.7 tmmm? -47.48 -53.82 13.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.375 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -50.7 -41.32 55.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.607 0.242 . . . . 0.0 110.663 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.4 p -84.99 -10.96 56.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.375 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 m -126.58 33.3 5.01 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.626 0.25 . . . . 0.0 110.646 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.594 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 5.5 mttm -46.33 -67.1 0.31 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.997 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 164.74 160.27 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.256 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.6 p . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.478 -0.772 . . . . 0.0 110.41 -179.93 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 120.847 0.356 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 53.83 95.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.413 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 160.25 110.28 0.26 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.19 -76.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.194 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.406 ' OD1' ' HB2' ' A' ' 9' ' ' ALA . 5.3 t0 -176.93 75.05 0.24 Allowed Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.505 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -90.27 13.04 2.34 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.175 2.583 . . . . 0.0 112.517 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -96.96 49.63 1.08 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.628 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.4 ' NZ ' ' HB2' ' A' ' 8' ' ' LYS . 3.2 mtmm 34.52 74.83 0.06 Allowed 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.31 0.644 . . . . 0.0 111.945 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.406 ' HB2' ' OD1' ' A' ' 5' ' ' ASP . . . -87.97 -60.96 1.83 Allowed 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.544 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.78 -41.65 74.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.659 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.16 -33.49 70.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.39 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -85.28 -24.87 27.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.537 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.57 -28.9 23.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.401 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.4 tp -64.21 -40.29 95.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.757 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.405 ' HG3' HD12 ' A' ' 22' ' ' ILE . 45.9 tt0 -70.6 -46.29 63.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.532 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.03 -23.58 7.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.623 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.6 m -96.59 -49.63 5.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.143 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.7 50.48 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.224 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 t -91.01 21.4 4.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.999 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.11 -18.02 24.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 111.05 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -111.25 -21.86 11.67 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.326 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.405 HD12 ' HG3' ' A' ' 15' ' ' GLN . 3.5 mt -92.41 67.69 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.144 0 CA-C-O 121.007 0.432 . . . . 0.0 110.213 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -173.22 -56.39 0.05 OUTLIER Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -75.99 -25.79 56.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 0.0 110.548 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.909 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -67.05 -23.84 65.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.507 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -73.54 -50.56 20.74 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.216 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.679 ' O ' HG12 ' A' ' 30' ' ' VAL . . . -52.59 -33.94 48.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.182 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.5 tpp -75.61 -45.18 38.99 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.216 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 25' ' ' ALA . 87.8 t -57.93 -48.79 83.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.132 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.679 HG12 ' O ' ' A' ' 27' ' ' ALA . 0.8 OUTLIER -49.36 -34.11 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.454 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -74.5 -23.83 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.428 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 29' ' ' VAL . 57.3 mt -90.7 -45.49 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.325 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.765 ' O ' HG22 ' A' ' 36' ' ' THR . 51.7 t -71.13 -41.95 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.68 -29.97 26.8 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.35 -28.32 69.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 33' ' ' VAL . 1.1 t -72.7 -33.4 66.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.112 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 23.7 mt -63.58 -28.56 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.846 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.73 -30.36 64.01 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.427 ' N ' HD13 ' A' ' 39' ' ' ILE . 2.2 mm -91.09 -40.31 12.47 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -43.21 94.59 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.901 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 41' ' ' LEU . 17.9 mt -60.84 -41.34 95.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.928 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.83 ' CZ ' HG21 ' A' ' 46' ' ' THR . 87.2 t80 -59.07 -49.25 78.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.499 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -18.59 13.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.84 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -93.16 -52.03 4.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.823 0.344 . . . . 0.0 110.654 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -65.12 -29.02 69.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.455 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.83 HG21 ' CZ ' ' A' ' 42' ' ' PHE . 36.3 p -90.45 -4.24 57.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.644 -179.136 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.67 -48.75 6.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.733 0.301 . . . . 0.0 110.306 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -52.01 -37.35 53.03 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-O 121.277 0.56 . . . . 0.0 110.731 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.454 ' N ' ' HD2' ' A' ' 48' ' ' LYS . . . -49.76 161.39 0.24 Allowed 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.389 -177.288 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.429 -0.796 . . . . 0.0 110.224 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 120.531 0.205 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -44.03 106.38 0.07 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.818 0.342 . . . . 0.0 110.845 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -169.31 116.54 0.66 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -119.12 64.61 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.716 0.293 . . . . 0.0 110.392 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -176.18 142.32 0.6 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.371 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -84.57 15.15 2.26 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.944 2.429 . . . . 0.0 112.816 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -44.63 -28.35 0.59 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.666 0.269 . . . . 0.0 111.069 -179.791 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.418 ' NZ ' ' HB3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -48.89 -31.67 7.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.581 179.915 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.02 -30.78 62.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.317 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.27 -47.58 19.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.344 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -52.86 -43.4 66.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.259 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -71.96 -24.09 61.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.443 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.6 -30.64 52.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.205 179.866 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.7 tp -71.58 -39.66 70.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.976 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.03 -22.96 63.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.331 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.672 ' O ' HD11 ' A' ' 22' ' ' ILE . . . -77.21 2.39 15.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.563 -179.842 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.2 p -93.5 28.94 2.11 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.806 0.336 . . . . 0.0 110.595 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.03 72.92 1.5 Allowed 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.535 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.6 m -48.5 -25.29 1.61 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.259 -179.292 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -75.07 -11.77 60.17 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.82 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.439 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 39.0 m-85 -117.62 -6.79 11.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.904 -179.434 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.672 HD11 ' O ' ' A' ' 16' ' ' ALA . 4.9 mt -90.29 79.12 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.487 0 CA-C-O 121.508 0.67 . . . . 0.0 109.728 179.806 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.553 ' N ' ' HB3' ' A' ' 26' ' ' TRP . . . 178.03 -52.91 0.1 OUTLIER Glycine 0 C--N 1.313 -0.74 0 N-CA-C 110.093 -1.203 . . . . 0.0 110.093 179.704 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -89.09 -35.88 16.06 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.391 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 21' ' ' TYR . . . -90.49 -10.09 44.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.485 177.532 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.553 ' HB3' ' N ' ' A' ' 23' ' ' GLY . 4.1 t-105 -90.54 -43.59 10.12 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 123.115 0.566 . . . . 0.0 109.927 -179.71 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.43 -43.55 80.9 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.279 -179.491 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -36.47 82.44 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.662 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 t -51.93 -43.81 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.79 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.1 t -59.16 -25.75 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.389 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 80.5 t -84.92 -14.64 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 39.0 mt -85.19 -42.15 16.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.766 0.317 . . . . 0.0 110.358 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.676 ' O ' HG22 ' A' ' 36' ' ' THR . 53.4 t -77.56 -36.81 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 179.543 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.09 -29.46 36.04 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 179.505 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.92 -28.25 68.79 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.513 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.676 HG22 ' O ' ' A' ' 33' ' ' VAL . 1.0 OUTLIER -70.79 -35.71 72.68 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.888 179.624 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.6 mt -62.34 -26.58 40.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.122 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.78 -30.37 61.8 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.43 ' N ' HD13 ' A' ' 39' ' ' ILE . 2.2 mm -91.35 -41.87 13.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.442 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -42.14 84.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.803 179.694 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 41' ' ' LEU . 15.1 mt -63.96 -41.76 97.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.268 179.529 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -59.26 -31.42 69.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.99 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -81.97 -2.19 50.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.719 -179.068 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.42 -53.34 2.67 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.819 0.342 . . . . 0.0 110.865 -179.436 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -57.52 -35.08 69.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.579 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.2 p -85.74 8.82 18.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.265 -179.362 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 t -87.63 -36.81 17.26 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.929 0.395 . . . . 0.0 110.034 179.5 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -47.51 -56.53 6.87 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 56.57 -176.67 0.05 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.441 -179.467 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.514 -0.755 . . . . 0.0 110.29 -179.841 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 172.3 125.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.361 179.854 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.93 149.49 2.01 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.92 82.26 1.8 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.841 0.353 . . . . 0.0 110.221 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -155.86 71.3 5.29 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.498 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -83.57 -16.53 6.74 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.755 2.303 . . . . 0.0 112.31 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.53 -19.2 46.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.996 -179.817 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -43.42 -29.51 0.45 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.786 0.327 . . . . 0.0 111.273 -179.703 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.48 ' N ' ' HG3' ' A' ' 8' ' ' LYS . . . -75.88 -70.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.447 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -50.64 -24.6 3.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.981 -179.753 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.72 -39.55 44.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.725 0.298 . . . . 0.0 110.734 -179.719 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -83.73 -50.52 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.713 -179.774 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.85 -31.6 66.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.763 -179.755 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 62.3 tp -72.84 -41.11 65.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.725 -179.542 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -78.37 -38.12 42.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.514 -179.776 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.51 -0.53 29.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.257 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.6 t -78.96 -76.41 0.2 Allowed 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.782 0.325 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.69 -19.35 65.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.625 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.459 HG22 ' HB ' ' A' ' 22' ' ' ILE . 11.4 m -95.48 35.09 1.37 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.997 0.427 . . . . 0.0 110.055 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.09 -5.75 59.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.781 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -99.52 -21.44 15.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.82 0.343 . . . . 0.0 110.39 179.648 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.53 HG22 ' HB2' ' A' ' 26' ' ' TRP . 8.8 mm -85.67 -42.85 16.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.77 -179.622 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -43.64 -43.67 6.52 Favored Glycine 0 C--O 1.225 -0.448 0 CA-C-O 120.075 -0.292 . . . . 0.0 113.452 -178.794 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -55.0 -43.63 73.79 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 118.003 0.901 . . . . 0.0 110.44 -178.822 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.74 -13.97 28.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.735 0.303 . . . . 0.0 110.59 178.789 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.53 ' HB2' HG22 ' A' ' 22' ' ' ILE . 6.6 t-105 -90.94 -23.93 20.3 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 122.855 0.462 . . . . 0.0 111.254 -178.358 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 23' ' ' GLY . . . -86.76 -53.18 5.07 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.641 -179.289 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -30.04 4.45 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.782 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 t -69.76 -43.06 80.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.261 179.33 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 26' ' ' TRP . 92.2 t -67.04 -46.74 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.502 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.4 t -52.88 -28.86 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-O 121.036 0.446 . . . . 0.0 110.241 179.827 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.8 mt -74.61 -29.62 23.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.656 179.668 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.9 t -82.65 -26.26 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.362 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.93 -34.97 83.53 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 109.922 -1.271 . . . . 0.0 109.922 179.425 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.406 ' O ' HG12 ' A' ' 39' ' ' ILE . . . -55.41 -33.82 63.87 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.213 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.1 m -67.62 -43.16 81.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.373 179.379 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.8 mt -62.18 -23.68 32.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 179.135 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.38 -25.57 65.52 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.661 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.434 ' N ' HD13 ' A' ' 39' ' ' ILE . 2.5 mm -90.93 -41.07 13.12 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.442 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -47.86 84.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.336 179.38 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 41' ' ' LEU . 39.1 mt -63.98 -43.16 96.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.821 179.063 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.574 ' O ' HG23 ' A' ' 46' ' ' THR . 64.1 t80 -49.62 -44.61 47.46 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.506 179.765 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -65.33 -19.0 65.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.133 -179.455 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -54.47 4.46 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-O 120.771 0.319 . . . . 0.0 110.547 -179.864 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -60.23 -27.04 66.88 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.357 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 42' ' ' PHE . 46.5 p -92.69 18.46 8.75 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.388 179.475 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.6 t -172.11 51.32 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.627 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 50' ' ' SER . 16.6 mttt -47.64 -46.32 28.67 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.967 -178.479 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.65 92.91 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.021 -179.778 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.459 -0.781 . . . . 0.0 110.476 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 120.826 0.346 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 52.24 45.82 27.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.289 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.69 142.47 48.19 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -163.72 86.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 110.308 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.9 t70 58.45 91.11 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.13 -179.847 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -87.17 12.45 2.96 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.888 2.392 . . . . 0.0 112.405 -179.739 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.24 43.75 1.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.776 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.437 ' NZ ' ' HB3' ' A' ' 8' ' ' LYS . 2.7 mmmm 28.46 63.23 0.12 Allowed 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 123.771 0.828 . . . . 0.0 112.517 179.727 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.33 -85.7 0.4 Allowed 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.409 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.61 -33.99 61.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.766 0.317 . . . . 0.0 110.463 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.35 -30.44 70.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.412 -179.809 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -92.61 -46.71 7.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.576 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.01 -37.92 89.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.473 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.1 tp -51.49 -43.09 62.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.282 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -52.09 -45.16 64.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.195 -179.646 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.24 19.73 7.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.882 -179.863 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 m -149.53 62.53 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.473 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.57 -53.27 10.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.454 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 t -91.42 17.85 7.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.074 -179.834 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.5 -4.75 57.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.666 0.269 . . . . 0.0 110.534 179.188 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -108.04 -19.88 13.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.94 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.617 ' O ' HG22 ' A' ' 22' ' ' ILE . 7.8 mm -85.11 5.67 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-O 121.09 0.471 . . . . 0.0 110.311 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.471 ' O ' ' CD1' ' A' ' 24' ' ' TYR . . . -105.5 -0.41 40.25 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 120.98 -0.628 . . . . 0.0 111.852 179.76 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 23' ' ' GLY . 3.8 m-85 -140.36 -44.79 0.41 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 117.346 0.573 . . . . 0.0 111.071 -179.617 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.22 -5.29 53.96 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.858 0.361 . . . . 0.0 110.037 178.619 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.483 ' HB3' ' O ' ' A' ' 22' ' ' ILE . 1.4 t-105 -90.89 -52.84 4.66 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.168 -179.753 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.28 -52.9 62.79 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.14 -179.327 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -33.07 39.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.729 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.538 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.9 OUTLIER -65.8 -37.17 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.637 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.3 t -64.1 -28.63 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.23 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.2 t -77.79 -26.09 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-O 120.992 0.425 . . . . 0.0 110.401 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.5 mt -85.36 -26.18 6.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.144 179.776 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 29' ' ' VAL . 48.5 t -75.62 -30.15 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.06 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.05 -58.89 4.52 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.63 -28.45 3.51 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.256 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.4 m -67.9 -41.68 82.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.548 179.032 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 52.2 mt -59.7 -30.67 45.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.793 179.651 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.54 -67.37 2.04 Favored Glycine 0 N--CA 1.458 0.164 0 N-CA-C 110.734 -0.947 . . . . 0.0 110.734 179.741 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.3 mt -52.08 -39.32 26.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.69 -0.255 . . . . 0.0 110.467 -179.747 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -46.32 82.46 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.785 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 41' ' ' LEU . 17.6 mt -54.47 -32.31 57.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.921 179.693 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.581 ' O ' HG23 ' A' ' 46' ' ' THR . 16.0 t80 -68.08 -53.53 24.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.622 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -15.04 56.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.071 -179.409 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.17 -35.2 15.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.701 0.286 . . . . 0.0 110.606 -179.282 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -85.09 -26.67 26.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.81 0.338 . . . . 0.0 110.525 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 42' ' ' PHE . 42.9 p -90.27 -16.06 30.06 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 -179.245 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.4 m -88.14 -17.41 31.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.553 0.216 . . . . 0.0 110.688 179.731 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 50' ' ' SER . 13.8 mmtt -43.13 -59.87 1.88 Allowed 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.023 -179.782 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 53.6 -87.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.691 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 48' ' ' LYS . 6.9 t . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.516 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 120.768 0.318 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -48.26 122.13 5.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.571 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 69.45 112.0 0.03 OUTLIER Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 -179.8 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -114.41 79.07 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.508 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.2 t0 57.05 95.2 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.548 179.847 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.988 ' HG3' ' HB3' ' A' ' 10' ' ' ALA . 41.2 Cg_endo -86.2 -43.65 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.934 2.422 . . . . 0.0 112.243 179.703 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . 82.63 -46.52 0.16 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 122.895 0.478 . . . . 0.0 111.381 179.316 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -120.97 -66.77 1.02 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.648 0.261 . . . . 0.0 111.467 -178.905 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -43.25 -89.08 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.686 -179.001 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.988 ' HB3' ' HG3' ' A' ' 6' ' ' PRO . . . -61.02 -25.33 66.83 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.665 0.269 . . . . 0.0 110.885 -179.303 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.405 ' O ' ' HB2' ' A' ' 15' ' ' GLN . 2.7 t80 -67.48 -27.83 67.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.852 0.358 . . . . 0.0 110.159 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 24.4 t-20 -86.77 -32.36 20.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.476 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.74 -36.93 19.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.594 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.4 tp -78.0 -39.35 42.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.753 -179.403 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.405 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 28.9 tt0 -61.19 -36.88 81.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.933 0.397 . . . . 0.0 110.391 -179.773 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.87 16.6 9.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.05 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.1 m -146.74 28.63 1.04 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.754 0.312 . . . . 0.0 110.427 -179.87 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -99.38 -56.14 2.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.5 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.8 p -99.84 4.95 45.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.081 -179.866 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.94 -8.59 53.88 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.599 0.237 . . . . 0.0 111.026 179.888 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.461 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 29.0 m-85 -111.23 -13.23 14.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.305 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.621 HG22 ' O ' ' A' ' 22' ' ' ILE . 8.2 mt -88.7 3.02 5.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-O 120.985 0.421 . . . . 0.0 110.643 179.748 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' O ' ' CD1' ' A' ' 24' ' ' TYR . . . -105.9 -2.22 39.52 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.785 179.843 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.475 ' CD1' ' O ' ' A' ' 23' ' ' GLY . 1.3 m-85 -142.17 -45.73 0.34 Allowed 'General case' 0 C--O 1.231 0.093 0 CA-C-N 117.294 0.547 . . . . 0.0 110.55 -179.792 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 21' ' ' TYR . . . -75.86 -7.19 53.91 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 178.226 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.467 ' HB3' ' O ' ' A' ' 22' ' ' ILE . 1.3 t-105 -90.87 -57.63 2.75 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.087 -179.79 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.81 -46.79 77.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.522 -179.235 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.7 tpp -56.91 -33.55 67.06 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.323 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 30' ' ' VAL . 0.7 OUTLIER -58.6 -52.35 60.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.86 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.439 ' N ' HG12 ' A' ' 29' ' ' VAL . 59.2 t -51.84 -31.77 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.642 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.9 t -76.18 -19.03 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.802 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -88.78 -28.83 5.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.44 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.0 t -81.17 -29.39 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.67 -49.86 4.68 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.72 -29.75 4.8 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.442 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.0 m -69.13 -45.72 69.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.448 179.14 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.2 mt -57.72 -36.5 55.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.378 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.09 -21.31 61.4 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 179.318 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.416 ' N ' HD13 ' A' ' 39' ' ' ILE . 2.7 mm -90.84 -49.25 13.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.561 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.485 ' CA ' ' HE2' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -53.06 -41.85 65.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.917 179.549 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 41' ' ' LEU . 60.1 mt -62.02 -42.11 98.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.267 179.671 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -59.67 -45.49 91.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.656 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.463 ' HA ' ' OG1' ' A' ' 46' ' ' THR . 0.1 OUTLIER -56.89 -39.11 73.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.749 -179.437 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -49.37 -70.37 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.75 0.31 . . . . 0.0 110.709 -179.192 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.461 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 64.9 m-85 -60.73 -33.43 72.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.535 -179.02 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.463 ' OG1' ' HA ' ' A' ' 43' ' ' LYS . 71.8 p -85.71 3.34 41.6 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -179.023 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 71.4 p -126.57 19.58 7.34 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.502 0.192 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -54.2 -50.33 67.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.9 0.381 . . . . 0.0 110.22 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.75 -71.58 0.08 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.003 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.7 m . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.47 -0.776 . . . . 0.0 110.429 -179.994 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 56.1 177.53 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.417 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 67.07 136.06 0.04 OUTLIER Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.928 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.66 -38.82 53.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 110.446 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.9 t0 178.59 85.9 0.16 Allowed Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.429 -179.892 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -81.77 -36.18 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.699 2.266 . . . . 0.0 112.13 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 48.73 38.22 11.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.699 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm 34.49 75.74 0.05 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.339 0.656 . . . . 0.0 112.025 179.18 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.15 -73.21 0.39 Allowed 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.68 -179.862 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.13 -53.56 33.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.506 -179.758 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.23 -52.58 34.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.213 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -65.23 -33.62 76.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.911 179.675 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.39 -40.33 90.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.084 179.766 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.1 tp -54.6 -37.05 65.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.524 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -65.11 -28.3 69.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.599 -179.834 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.71 -7.71 41.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.419 -179.738 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.55 -23.67 17.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.664 0.269 . . . . 0.0 110.718 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -99.71 39.57 1.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.925 0.393 . . . . 0.0 110.658 -179.82 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.8 p -96.61 23.64 6.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.565 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -99.69 -17.23 17.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.083 -179.912 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -101.52 -20.42 15.1 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.972 -179.706 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.518 ' O ' ' HB3' ' A' ' 26' ' ' TRP . 8.0 mm -80.69 -48.77 19.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 110.519 -0.178 . . . . 0.0 110.519 -179.594 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -37.7 -28.65 0.04 OUTLIER Glycine 0 CA--C 1.529 0.953 0 CA-C-O 120.298 -0.168 . . . . 0.0 113.11 -178.864 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' A' ' 22' ' ' ILE . 7.5 m-85 -107.2 -35.59 6.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 117.232 0.516 . . . . 0.0 111.476 -178.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.81 -12.85 59.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.1 -179.809 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.518 ' HB3' ' O ' ' A' ' 22' ' ' ILE . 0.8 OUTLIER -90.85 -64.1 1.18 Allowed 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.691 0.282 . . . . 0.0 110.683 -179.744 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.413 ' N ' ' CG ' ' A' ' 26' ' ' TRP . . . -48.49 -48.8 37.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.819 -179.02 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -43.63 85.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.05 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 t -54.9 -51.08 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.996 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 63.8 t -49.95 -32.33 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.863 -179.776 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 35' ' ' ALA . 92.3 t -81.53 -17.59 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -179.915 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 52.3 mt -100.41 -45.75 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.098 -179.615 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.9 t -72.8 -68.08 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.857 -179.031 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.38 -26.98 38.98 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.546 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.794 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -72.78 -22.14 60.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.55 0.214 . . . . 0.0 110.721 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.475 ' CG2' ' N ' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -82.94 -51.93 7.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.973 0.416 . . . . 0.0 110.14 -179.888 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.475 ' N ' ' CG2' ' A' ' 36' ' ' THR . 6.0 mt -51.38 -34.23 14.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.416 -179.7 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.54 -53.91 35.47 Favored Glycine 0 CA--C 1.517 0.182 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.778 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.794 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.0 mt -75.47 -35.52 32.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.428 0.156 . . . . 0.0 110.971 -179.199 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.457 ' N ' ' HE3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -63.94 -43.35 96.1 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.711 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 41' ' ' LEU . 12.5 mt -52.4 -24.33 7.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.286 179.662 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.752 ' CE1' HG21 ' A' ' 46' ' ' THR . 47.2 t80 -83.23 -53.04 6.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.641 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.411 ' HA ' ' OG1' ' A' ' 46' ' ' THR . 3.3 mmtp -55.62 -26.15 42.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.877 0.37 . . . . 0.0 110.645 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.474 ' CE ' ' HA ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -58.91 -75.41 0.05 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.715 -179.224 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -61.11 -33.78 73.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.613 0.244 . . . . 0.0 111.44 -179.065 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.752 HG21 ' CE1' ' A' ' 42' ' ' PHE . 68.5 p -77.62 -71.62 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.736 0.303 . . . . 0.0 110.253 -179.37 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 43' ' ' LYS . 6.9 m -88.49 56.76 3.92 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.169 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -48.92 -51.86 27.81 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.01 -179.254 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 43.58 -168.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.189 -179.631 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.2 p . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.467 -0.778 . . . . 0.0 110.49 -179.792 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.719 0.295 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.43 -62.29 1.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.682 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.418 ' HA ' ' OG ' ' A' ' 13' ' ' SER . . . -46.39 -46.33 18.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.99 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -63.39 -39.64 95.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.492 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -73.47 -26.66 61.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.437 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.418 ' OG ' ' HA ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -60.75 -20.89 62.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mt -84.18 -43.33 15.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.089 0.471 . . . . 0.0 110.294 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -69.68 -25.23 63.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.871 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.384 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 CA--C 1.532 0.268 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -89.62 -8.42 52.58 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.619 0.247 . . . . 0.0 110.938 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -112.04 -12.68 13.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.266 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.3 mm -91.29 78.16 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 CA-C-O 121.115 0.483 . . . . 0.0 109.753 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.7 -58.11 0.1 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -69.0 -26.03 64.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.738 0.304 . . . . 0.0 110.337 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -69.34 -31.72 70.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.447 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -66.54 -41.13 89.19 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.51 -36.07 81.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.944 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.56 -37.51 85.11 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.476 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 25' ' ' ALA . 76.3 t -59.64 -44.94 94.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.043 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.13 -34.31 56.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.126 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.647 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 72.1 t -72.65 -13.38 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.807 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.9 mt -91.19 -47.98 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.424 ' O ' HG22 ' A' ' 36' ' ' THR . 6.0 t -81.54 -61.4 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.73 -26.4 5.5 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.647 ' HB2' ' O ' ' A' ' 31' ' ' VAL . . . -70.09 -23.99 63.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.66 0.266 . . . . 0.0 110.581 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.458 ' CG2' ' N ' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -82.1 -48.62 11.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.828 0.347 . . . . 0.0 110.217 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.458 ' N ' ' CG2' ' A' ' 36' ' ' THR . 47.5 mt -48.22 -34.32 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.548 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.63 -64.16 3.76 Favored Glycine 0 N--CA 1.459 0.184 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.1 mt -62.01 -33.59 59.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.634 0.254 . . . . 0.0 110.58 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -49.59 74.06 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.022 0.439 . . . . 0.0 109.96 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 41' ' ' LEU . 13.6 mt -58.38 -27.68 64.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.548 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -71.13 -43.55 67.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.025 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -62.25 -38.77 90.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.141 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.469 ' HE2' ' N ' ' A' ' 45' ' ' PHE . 1.1 tmmm? -60.49 -50.64 72.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.693 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.469 ' N ' ' HE2' ' A' ' 44' ' ' LYS . 8.4 m-85 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.947 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.863 0.364 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.68 -50.46 15.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.231 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.63 -27.58 68.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.24 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -74.5 -45.36 46.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.338 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -73.37 -22.16 60.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.653 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.07 -32.92 21.13 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.825 0.345 . . . . 0.0 110.375 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.4 tp -53.67 -40.18 65.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.064 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -62.45 -38.29 89.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.513 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.019 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.6 p . . . . . 0 CA--C 1.522 -0.123 0 CA-C-O 120.859 0.362 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.486 ' O ' ' CZ ' ' A' ' 24' ' ' TYR . 0.7 OUTLIER -85.69 -10.2 56.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.973 179.802 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -110.45 -21.6 12.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.308 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.471 HG22 ' O ' ' A' ' 22' ' ' ILE . 8.5 mm -89.93 -5.45 10.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 116.91 -0.132 . . . . 0.0 111.052 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.99 -25.08 53.65 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.498 ' CD1' ' N ' ' A' ' 24' ' ' TYR . 1.6 m-30 -77.22 -28.45 53.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.708 0.289 . . . . 0.0 110.347 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.53 -15.25 60.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.905 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.527 ' CZ3' HG11 ' A' ' 29' ' ' VAL . 5.8 m95 -84.53 -53.45 5.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.871 0.367 . . . . 0.0 110.838 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.07 -34.09 3.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.416 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.4 mmt -74.16 -40.47 62.56 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.824 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -49.6 -51.3 15.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.752 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.425 ' N ' HG12 ' A' ' 29' ' ' VAL . 66.2 t -50.58 -35.7 13.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.383 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.3 t -78.48 -26.7 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.262 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.5 mt -83.42 -23.67 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.211 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 29' ' ' VAL . 83.9 t -66.29 -34.39 69.86 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.1 -44.54 66.29 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.412 ' O ' HG12 ' A' ' 39' ' ' ILE . . . -50.6 -25.87 4.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.873 0.368 . . . . 0.0 110.074 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.1 m -78.3 -43.9 26.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.226 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.4 mt -58.02 -23.14 20.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.622 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.38 -22.8 61.92 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.442 HD13 ' N ' ' A' ' 39' ' ' ILE . 2.1 mm -91.29 -37.81 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -51.55 67.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.625 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 41' ' ' LEU . 21.7 mt -56.79 -30.38 63.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.076 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -71.87 -26.88 62.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.663 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.6 14.95 10.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.458 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.59 -51.9 2.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.876 0.37 . . . . 0.0 110.464 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.453 179.856 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 120.739 0.304 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.22 -68.53 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.568 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.402 ' HA ' ' OG ' ' A' ' 13' ' ' SER . . . -47.82 -50.24 26.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.968 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -56.87 -38.91 73.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -74.33 -23.51 59.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 110.767 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.402 ' OG ' ' HA ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -71.27 -21.9 62.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.299 -179.685 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mt -88.88 -43.28 11.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.968 0.413 . . . . 0.0 110.602 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -74.52 -31.78 62.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.514 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.953 -179.912 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.835 0.35 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -81.88 -18.25 44.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -102.39 -22.08 14.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.056 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.497 HG22 ' O ' ' A' ' 22' ' ' ILE . 8.3 mm -90.45 -4.16 10.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.07 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.03 -19.65 79.8 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -83.06 -24.3 32.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.747 0.308 . . . . 0.0 110.66 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.771 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -72.69 -19.36 61.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.033 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -70.3 -25.36 63.29 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.698 0.285 . . . . 0.0 110.627 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.741 ' O ' HG12 ' A' ' 30' ' ' VAL . . . -69.25 -53.71 18.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.55 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -32.1 70.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.191 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 25' ' ' ALA . 98.6 t -69.19 -50.7 50.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.217 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.741 HG12 ' O ' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -49.52 -29.37 4.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.488 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.3 t -76.87 -27.02 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.277 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' VAL . 70.7 mt -84.84 -21.55 7.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.372 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.0 t -74.1 -25.76 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 37' ' ' ILE . . . -72.83 -54.81 6.92 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.533 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -47.99 -29.3 3.34 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.159 0.504 . . . . 0.0 109.791 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 23.3 m -68.66 -41.85 78.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.388 178.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 34' ' ' GLY . 48.4 mt -62.85 -38.76 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.862 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.87 -63.73 4.99 Favored Glycine 0 C--N 1.329 0.146 0 N-CA-C 110.696 -0.962 . . . . 0.0 110.696 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.3 mt -58.33 -44.82 89.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.634 -0.283 . . . . 0.0 110.59 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -53.63 -39.85 65.3 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 120.869 0.366 . . . . 0.0 110.25 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' A' ' 41' ' ' LEU . 18.1 mt -63.81 -50.79 67.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.13 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -43.7 -33.09 1.14 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.874 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -84.82 -58.04 2.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.077 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.91 -33.43 24.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.173 -179.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--O 1.231 0.109 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.703 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.841 0.353 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 13' ' ' SER . . . -57.94 -44.25 86.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.188 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.52 -41.38 73.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.523 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -70.33 -46.14 64.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.346 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -67.31 -39.07 85.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.879 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 9' ' ' ALA . 0.7 OUTLIER -58.47 -28.07 64.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.491 -179.804 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.5 tp -72.51 -38.82 68.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.777 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -76.67 -30.97 56.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.992 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.485 -179.529 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.1 p . . . . . 0 N--CA 1.463 0.182 0 CA-C-O 120.604 0.24 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.499 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 0.5 OUTLIER -82.29 1.67 35.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.563 0.22 . . . . 0.0 110.548 179.234 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.609 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 11.9 m-85 -106.92 17.26 23.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.71 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.2 mm -80.75 -43.48 21.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.828 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.99 2.09 78.9 Favored Glycine 0 CA--C 1.528 0.844 0 C-N-CA 121.217 -0.516 . . . . 0.0 112.877 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.499 ' CD2' ' O ' ' A' ' 20' ' ' GLU . 2.6 m-85 -124.69 -39.52 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 117.595 0.697 . . . . 0.0 111.863 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 21' ' ' TYR . . . -65.8 -16.83 64.17 Favored 'General case' 0 C--N 1.333 -0.147 0 O-C-N 122.339 -0.226 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -77.44 -29.36 52.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.761 0.315 . . . . 0.0 110.425 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.34 -24.91 63.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.259 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.4 mmm -83.55 -37.65 22.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.322 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.897 ' O ' HG23 ' A' ' 33' ' ' VAL . 69.7 t -57.25 -34.7 46.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.136 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.05 -36.44 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.405 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.7 t -77.12 -18.78 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.949 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.1 mt -95.7 -29.69 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.325 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 29' ' ' VAL . 53.4 t -60.45 -32.88 52.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-O 120.665 0.269 . . . . 0.0 110.358 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.82 -53.82 6.95 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.8 -31.34 2.96 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.165 0.507 . . . . 0.0 109.84 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.4 m -64.48 -43.68 93.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.554 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.4 mt -61.88 -26.82 40.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.089 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.25 -59.42 6.32 Favored Glycine 0 CA--C 1.517 0.194 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.6 mt -61.41 -43.04 96.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.53 -0.335 . . . . 0.0 110.857 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -40.96 74.85 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.793 0.33 . . . . 0.0 110.636 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.424 ' HA ' HD23 ' A' ' 41' ' ' LEU . 12.6 mt -55.4 -25.87 38.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.631 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -80.72 -54.33 5.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.646 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -15.91 41.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.942 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.74 -43.05 15.89 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.575 0.226 . . . . 0.0 110.882 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 . . . . . 0 C--N 1.331 -0.231 0 CA-C-O 120.838 0.351 . . . . 0.0 110.876 -179.899 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.665 0.269 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.63 -67.25 0.22 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.538 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.02 -51.82 68.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.486 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -51.42 -35.97 41.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -73.1 -39.06 66.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.513 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.34 -27.96 50.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.32 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.1 tp -76.07 -32.67 59.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.487 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -82.01 -27.71 32.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.854 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.152 -179.912 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.6 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.672 0.272 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.41 -0.05 41.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.227 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -114.82 -8.43 12.58 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.3 mm -91.09 -46.04 14.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.03 -18.62 41.67 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.807 -0.517 . . . . 0.0 111.807 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -89.78 -24.71 21.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.023 0.412 . . . . 0.0 110.554 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.621 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -67.8 -12.2 60.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.517 179.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -79.09 -40.62 30.71 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-O 120.897 0.38 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.581 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -61.34 -30.08 70.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.523 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.0 mmt -76.31 -24.74 54.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.16 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 25' ' ' ALA . 94.7 t -78.39 -31.45 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.212 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.7 t -73.47 -38.63 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.356 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 27' ' ' ALA . 91.5 t -68.13 -21.86 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-O 120.91 0.386 . . . . 0.0 110.783 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.2 mt -94.36 -54.36 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.362 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 78.9 t -72.92 -24.49 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.195 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.03 -41.3 97.29 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.425 ' O ' HG12 ' A' ' 39' ' ' ILE . . . -51.18 -29.35 13.61 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.8 m -77.24 -51.41 10.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.893 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.8 mt -53.61 -27.32 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.58 -25.88 74.26 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.437 HD13 ' N ' ' A' ' 39' ' ' ILE . 2.5 mm -91.5 -45.0 14.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.087 0.47 . . . . 0.0 109.837 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -30.62 54.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.83 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' A' ' 41' ' ' LEU . 12.6 mt -68.0 -51.29 48.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.115 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -52.94 -51.35 61.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.482 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -14.65 53.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.177 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.61 -54.73 5.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.741 0.305 . . . . 0.0 110.88 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 -179.824 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 9' ' ' ALA . 6.4 ptmm? . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.909 0.385 . . . . 0.0 110.136 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 8' ' ' LYS . . . -64.27 -30.93 71.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.933 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.2 -47.32 62.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.918 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -63.12 -32.39 73.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.994 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -82.1 -23.83 35.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.331 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -23.94 67.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.439 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 mt -75.89 -40.45 54.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.08 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -80.4 -29.59 37.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.555 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.24 -179.873 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.8 p . . . . . 0 N--CA 1.462 0.168 0 CA-C-O 120.327 0.108 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -76.01 -9.78 58.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.703 0.287 . . . . 0.0 111.178 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -102.04 -23.42 14.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.64 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.4 mm -86.84 -14.45 10.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.76 -31.3 75.1 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -53.63 -27.54 27.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.86 0.362 . . . . 0.0 110.262 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.815 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -86.0 -27.18 25.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.663 ' O ' HG23 ' A' ' 30' ' ' VAL . 1.9 m95 -56.61 -32.28 65.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.227 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.27 -47.82 39.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.726 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.6 tpp -66.19 -38.43 88.0 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.254 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 25' ' ' ALA . 59.7 t -55.68 -30.67 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.0 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 26' ' ' TRP . 92.7 t -69.95 -30.82 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.04 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.4 t -80.15 -15.26 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.819 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 42.8 mt -84.71 -26.06 6.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.304 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -69.41 -59.68 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.56 -26.09 7.13 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.814 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -67.36 -26.49 66.5 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.497 ' CG2' ' N ' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -76.04 -54.08 7.38 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.731 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.497 ' N ' ' CG2' ' A' ' 36' ' ' THR . 44.8 mt -47.95 -25.9 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.99 -60.11 3.22 Favored Glycine 0 CA--C 1.519 0.327 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.814 HD12 ' O ' ' A' ' 35' ' ' ALA . 3.4 mt -67.84 -24.11 30.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.64 0.257 . . . . 0.0 110.826 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -71.33 -44.28 65.41 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.596 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.3 mt -63.14 -35.19 79.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.737 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -63.43 -44.56 94.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.95 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -38.29 71.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.781 -178.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.4 ' O ' ' NZ ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -77.72 -52.2 9.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.51 0.195 . . . . 0.0 110.902 -178.863 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 C--N 1.331 -0.202 0 CA-C-O 120.64 0.257 . . . . 0.0 110.929 -179.949 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.459 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 120.886 0.374 . . . . 0.0 110.32 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.45 -27.66 0.76 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.979 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.1 -50.17 6.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.364 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -53.29 -34.92 59.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.387 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -72.99 -32.76 65.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.332 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -21.86 40.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.298 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 mt -85.99 -44.12 12.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.367 . . . . 0.0 110.865 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -67.63 -36.29 80.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.708 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.603 179.718 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.5 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.866 0.365 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -83.65 -3.59 57.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.594 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -107.72 -18.09 13.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.445 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.476 HG22 ' O ' ' A' ' 22' ' ' ILE . 7.3 mm -88.68 -6.5 10.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 121.28 -0.168 . . . . 0.0 111.268 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.52 -41.48 36.15 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -70.84 -31.16 67.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.771 0.319 . . . . 0.0 110.456 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.812 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -60.59 -24.03 65.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.418 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.415 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.6 OUTLIER -61.53 -37.15 82.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.302 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.33 -50.14 55.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.263 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -43.01 86.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.041 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 25' ' ' ALA . 54.1 t -52.37 -29.16 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.277 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 26' ' ' TRP . 88.7 t -78.75 -35.88 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.245 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.1 t -70.8 -25.39 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.371 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 56.0 mt -79.18 -22.43 12.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.274 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.5 t -84.92 -35.2 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.92 -56.11 11.88 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.876 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -48.83 -29.05 4.18 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.078 0.466 . . . . 0.0 109.871 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.9 m -73.4 -49.15 28.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.093 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 82.9 mt -64.52 -27.04 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.397 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.51 -54.8 24.05 Favored Glycine 0 N--CA 1.459 0.199 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.876 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.4 mt -68.73 -46.71 79.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.515 -0.343 . . . . 0.0 110.687 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -43.33 65.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 0.0 110.404 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.498 ' HA ' HD23 ' A' ' 41' ' ' LEU . 13.0 mt -60.81 -30.12 69.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.933 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -71.23 -53.61 13.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.173 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.32 -18.52 11.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.38 -0.373 . . . . 0.0 112.0 -179.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.462 ' CE ' ' HA ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -90.63 -56.47 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.706 0.288 . . . . 0.0 110.96 -179.442 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 120.77 0.319 . . . . 0.0 111.04 -179.517 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 9' ' ' ALA . 7.5 ptmm? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.778 0.323 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 8' ' ' LYS . . . -74.4 -64.14 1.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.321 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.417 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -56.8 -30.28 63.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.551 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.93 -43.96 94.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.915 0.388 . . . . 0.0 110.367 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -74.31 -41.05 61.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.03 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.95 -36.08 64.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.028 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.417 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 16.3 tp -69.63 -41.26 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.697 0.284 . . . . 0.0 110.645 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -53.33 -36.22 61.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.59 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.26 -179.753 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 CA--C 1.531 0.225 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -80.52 -0.31 36.97 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.707 0.289 . . . . 0.0 110.583 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -101.06 -0.55 36.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.383 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.5 mt -90.26 79.13 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.255 0 CA-C-O 121.325 0.583 . . . . 0.0 109.558 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.14 -44.77 0.4 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.28 -1.128 . . . . 0.0 110.28 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -92.95 -32.26 14.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.87 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -66.25 -26.59 67.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.341 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.706 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.58 -46.56 85.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.062 179.84 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.41 -29.01 68.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.371 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.5 mmm -84.77 -43.4 14.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.197 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.896 ' O ' HG23 ' A' ' 33' ' ' VAL . 62.1 t -52.6 -43.14 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.422 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 26' ' ' TRP . 45.3 t -61.34 -40.9 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.275 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 31' ' ' VAL . 92.4 t -72.86 -12.05 15.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.59 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.414 HG22 ' OG1' ' A' ' 36' ' ' THR . 41.6 mt -98.82 -38.85 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.474 0.178 . . . . 0.0 111.316 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 29' ' ' VAL . 20.3 t -46.26 -40.35 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 120.658 0.266 . . . . 0.0 111.295 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -89.5 -56.19 1.93 Allowed Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.82 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -49.02 -29.35 4.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.077 0.465 . . . . 0.0 109.749 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.427 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 16.9 m -65.07 -49.44 70.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.512 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 55.9 mt -59.79 -36.19 64.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.418 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.89 -70.03 1.14 Allowed Glycine 0 N--CA 1.459 0.215 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.82 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.0 mt -49.34 -35.44 8.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.607 -0.297 . . . . 0.0 110.911 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -60.76 -54.65 42.56 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.932 0.396 . . . . 0.0 110.083 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 41' ' ' LEU . 12.7 mt -51.84 -27.62 13.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.772 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -71.12 -50.52 32.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.096 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -19.37 16.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.156 -0.474 . . . . 0.0 112.276 -178.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.409 ' HD3' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -83.92 -40.81 18.1 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 120.71 0.29 . . . . 0.0 110.874 -179.098 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.321 -179.011 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 121.522 0.677 . . . . 0.0 111.85 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.35 -73.44 0.12 Allowed 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.528 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.42 -28.67 55.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.535 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.429 ' HB3' ' HB3' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -75.17 -49.89 18.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.567 -179.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 17.2 t-20 -64.31 -26.59 68.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.324 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -29.34 67.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.973 0.416 . . . . 0.0 110.085 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -73.66 -38.23 65.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.543 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -71.65 -34.78 70.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.748 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.764 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.2 p . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 120.41 0.148 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -96.18 0.41 51.13 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 120.557 0.218 . . . . 0.0 111.207 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -106.51 2.75 26.46 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.9 mt -91.1 76.55 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.222 0.534 . . . . 0.0 109.669 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.35 -45.31 0.35 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.46 -1.056 . . . . 0.0 110.46 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -84.51 -33.57 23.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.336 . . . . 0.0 110.275 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.87 -21.46 66.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.495 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.492 ' O ' HG23 ' A' ' 30' ' ' VAL . 2.2 m95 -68.14 -37.08 80.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.249 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.419 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -53.4 -32.93 51.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.48 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 mmt -80.86 -51.62 8.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.139 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.557 ' O ' HG23 ' A' ' 33' ' ' VAL . 94.9 t -49.98 -25.59 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.481 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 26' ' ' TRP . 61.1 t -79.91 -37.02 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.015 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 27' ' ' ALA . 76.7 t -75.72 -19.94 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.703 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 38.6 mt -90.72 -40.07 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.049 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 29' ' ' VAL . 55.7 t -72.4 -53.08 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.87 -26.73 5.93 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.447 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -68.53 -23.95 64.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.632 0.254 . . . . 0.0 110.525 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 33' ' ' VAL . 0.6 OUTLIER -82.64 -46.6 13.05 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.421 ' N ' ' CG2' ' A' ' 36' ' ' THR . 56.1 mt -51.38 -30.69 10.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.979 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.87 -68.75 1.54 Allowed Glycine 0 C--N 1.329 0.147 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.447 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.3 mt -57.9 -34.45 48.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.728 0.299 . . . . 0.0 110.458 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -62.54 -50.96 69.28 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.905 0.384 . . . . 0.0 110.016 179.676 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.429 ' HA ' HD23 ' A' ' 41' ' ' LEU . 12.4 mt -55.22 -23.47 22.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.363 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -75.76 -31.61 59.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -83.02 -14.05 54.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.403 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.27 -55.23 4.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.828 0.347 . . . . 0.0 110.725 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.663 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 4.0 mtpp . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.689 0.281 . . . . 0.0 110.644 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.23 -78.65 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.594 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.65 -54.66 11.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.99 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -50.69 -37.54 41.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.419 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -71.59 -35.94 70.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.356 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.63 -29.57 70.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.756 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.6 tp -78.32 -31.13 48.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.796 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -92.66 -37.27 12.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.765 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.306 -179.796 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.665 ' O ' HG22 ' A' ' 19' ' ' THR . 64.5 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.075 0.464 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.31 -14.84 34.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.269 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -104.39 -22.21 13.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.624 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.514 ' HB ' HG23 ' A' ' 19' ' ' THR . 2.0 mm -80.27 -21.54 11.65 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.229 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.9 -12.56 57.51 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -71.98 -34.79 69.22 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.647 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -70.68 -26.07 63.27 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -62.52 -30.89 71.62 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.897 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.599 ' O ' HG12 ' A' ' 30' ' ' VAL . . . -69.91 -28.57 65.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.08 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 mmt -85.94 -45.75 11.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.859 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 25' ' ' ALA . 98.0 t -53.26 -41.79 44.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.357 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.599 HG12 ' O ' ' A' ' 27' ' ' ALA . 3.0 p -59.86 -31.93 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.982 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.5 t -77.44 -25.65 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.687 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.7 mt -88.04 -37.22 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.011 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.0 t -83.07 -26.65 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.48 -39.25 69.21 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.43 -32.45 49.83 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.409 ' HA ' HG12 ' A' ' 39' ' ' ILE . 15.7 m -67.34 -48.12 68.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.227 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.3 mt -55.42 -31.04 26.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.49 -20.66 73.9 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.437 HD13 ' N ' ' A' ' 39' ' ' ILE . 2.3 mm -91.05 -45.57 14.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.446 ' HE3' ' CA ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -56.95 -46.66 81.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.481 179.04 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.6 mt -55.76 -35.92 66.75 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.38 -50.69 58.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.848 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -15.09 42.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.321 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.34 -59.41 1.76 Allowed 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 CA--C 1.518 -0.252 0 CA-C-O 120.662 0.268 . . . . 0.0 110.745 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.907 0.384 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.12 -73.2 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.717 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.17 -33.54 3.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.938 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.67 -39.41 62.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.523 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -74.66 -27.48 60.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.56 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.35 -29.86 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.29 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.3 tp -70.53 -42.48 71.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.382 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -68.42 -35.26 77.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.594 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.085 179.82 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.0 t . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 120.647 0.26 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -85.51 0.0 53.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.018 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -100.55 -21.49 15.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.969 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 mm -83.95 -30.42 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.379 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -46.51 -28.83 3.64 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -73.95 -22.11 59.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.674 0.273 . . . . 0.0 111.13 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.637 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -76.94 -9.35 58.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.42 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.512 ' O ' HG23 ' A' ' 30' ' ' VAL . 4.7 m95 -82.98 -42.62 17.36 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.788 0.328 . . . . 0.0 110.57 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.706 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -54.85 -26.43 35.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.551 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.8 mmm -84.97 -34.39 22.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.2 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 25' ' ' ALA . 84.1 t -74.4 -31.54 28.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.179 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 26' ' ' TRP . 75.2 t -69.95 -42.05 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.038 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 27' ' ' ALA . 98.8 t -64.76 -21.68 29.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.637 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.2 mt -100.45 -62.63 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.607 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.416 ' O ' ' HB ' ' A' ' 36' ' ' THR . 70.3 t -77.71 -49.02 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.652 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.97 -49.21 59.8 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.402 ' O ' HG12 ' A' ' 39' ' ' ILE . . . -48.81 -26.97 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.925 0.393 . . . . 0.0 110.414 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 3.1 m -85.99 -55.22 4.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.982 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.6 mt -51.89 -28.16 9.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.14 -21.66 77.13 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.431 HD13 ' N ' ' A' ' 39' ' ' ILE . 2.7 mm -91.0 -48.07 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.449 ' HE3' ' CA ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -53.9 -46.5 71.44 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.898 179.574 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 41' ' ' LEU . 18.8 mt -58.18 -28.88 65.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.348 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -74.68 -52.97 10.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.559 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -24.43 64.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.558 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -80.8 -37.5 30.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.737 0.303 . . . . 0.0 110.309 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.438 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.445 -0.679 0 CA-C-O 121.405 0.622 . . . . 0.0 112.066 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.62 -44.29 9.13 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.118 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.79 -25.01 48.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.257 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.58 -57.39 3.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.273 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -54.31 -45.84 72.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.206 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.19 -28.47 69.16 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.057 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.675 ' O ' HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -62.77 -43.6 98.38 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -66.72 -39.07 87.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.152 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.122 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.464 0.227 0 CA-C-O 120.929 0.395 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -86.49 -18.76 30.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.946 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -90.61 -21.39 21.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.6 mm -87.92 -11.2 10.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.242 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.64 -44.5 63.21 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -70.9 -24.2 62.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.691 0.281 . . . . 0.0 110.389 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.719 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -65.93 -30.35 70.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.24 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.889 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -56.5 -27.01 56.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.287 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.82 -45.92 55.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.37 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -38.61 71.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.392 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 25' ' ' ALA . 99.4 t -57.88 -35.71 52.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.433 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 26' ' ' TRP . 93.1 t -65.68 -35.88 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.4 t -73.01 -20.0 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 67.2 mt -93.92 -47.84 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.402 ' O ' ' HB ' ' A' ' 36' ' ' THR . 70.0 t -68.02 -25.37 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.421 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.5 -53.17 26.15 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.78 -29.04 1.74 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.099 0.476 . . . . 0.0 110.232 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 17.4 m -73.5 -50.35 21.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.01 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.0 mm -51.88 -36.39 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.861 0.362 . . . . 0.0 110.219 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -53.62 -69.44 1.22 Allowed Glycine 0 C--N 1.329 0.165 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.2 mt -48.65 -44.32 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.445 -0.378 . . . . 0.0 110.664 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.408 ' HE3' ' CA ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -53.08 -50.6 64.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.798 0.332 . . . . 0.0 110.285 179.573 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.5 mt -57.28 -27.14 61.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.52 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -72.61 -43.17 63.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.125 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -59.48 -17.35 30.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.051 -179.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.18 -55.08 3.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.565 0.222 . . . . 0.0 110.973 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.147 -179.754 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.214 0 CA-C-O 120.917 0.389 . . . . 0.0 110.573 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.37 -68.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.489 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.79 -40.1 62.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.497 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -60.86 -37.75 83.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.311 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -68.7 -37.08 79.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.129 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.15 -27.66 68.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.94 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 tp -63.78 -29.96 71.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.274 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -48.86 -25.8 2.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.791 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.103 179.925 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.461 0.119 0 CA-C-O 120.752 0.31 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.422 ' O ' ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -90.21 2.22 55.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.072 -179.821 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -124.11 -15.74 6.71 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.413 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 13.5 mt -91.61 -41.8 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 26' ' ' TRP . . . -59.63 -60.21 9.16 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.422 ' CE2' ' O ' ' A' ' 20' ' ' GLU . 32.7 m-85 -51.19 -29.78 15.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.579 0.228 . . . . 0.0 110.929 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.741 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.37 -22.67 61.7 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.411 ' HB2' ' O ' ' A' ' 23' ' ' GLY . 5.9 m95 -81.43 -52.21 7.5 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.144 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 30' ' ' VAL . . . -52.22 -25.44 9.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.142 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.9 mmm -81.25 -37.97 27.69 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 25' ' ' ALA . 54.2 t -60.94 -30.42 47.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.014 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -75.31 -29.74 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.592 -179.85 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.7 t -82.57 -23.2 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.902 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.5 mt -88.79 -26.14 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.345 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 29' ' ' VAL . 25.5 t -78.25 -31.36 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.15 -52.46 3.42 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.696 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -49.9 -32.33 14.38 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.2 m -63.92 -41.2 97.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.473 -0.785 . . . . 0.0 108.997 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 58.5 mt -75.88 -26.05 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.901 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.71 -50.12 44.65 Favored Glycine 0 C--N 1.332 0.309 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.696 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.8 mt -68.94 -39.72 80.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.513 -0.343 . . . . 0.0 110.746 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.446 ' HE3' ' CA ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -60.81 -37.88 83.5 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 179.596 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 41' ' ' LEU . 12.9 mt -60.23 -32.83 71.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.239 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.466 ' CD1' ' C ' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -69.18 -56.27 8.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.006 0.431 . . . . 0.0 109.859 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.12 -27.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.983 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.27 -50.69 4.46 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.627 0.251 . . . . 0.0 111.251 -179.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 CA--C 1.518 -0.267 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -179.342 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.621 0.248 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.66 -84.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.453 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.89 -29.58 1.44 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.283 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.61 -36.81 81.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.798 0.332 . . . . 0.0 110.613 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -79.9 -36.38 36.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.151 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.21 -31.33 55.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.713 0.292 . . . . 0.0 110.626 -179.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -74.74 -30.7 61.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.7 -179.516 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -48.43 -31.83 6.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.323 -179.866 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 66.9 p . . . . . 0 CA--C 1.531 0.244 0 CA-C-O 120.362 0.125 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.485 ' O ' ' CE1' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -94.87 -8.95 35.75 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.684 0.278 . . . . 0.0 111.607 -179.736 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -102.38 -17.95 15.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.108 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.3 mm -77.12 -36.31 24.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.15 -10.51 59.56 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.485 ' CE1' ' O ' ' A' ' 20' ' ' GLU . 5.5 m-30 -67.81 -36.41 80.37 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.901 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -69.66 -25.07 63.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.085 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -67.41 -45.63 75.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.411 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.886 ' O ' HG12 ' A' ' 30' ' ' VAL . . . -63.17 -51.04 67.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.059 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -38.7 70.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 25' ' ' ALA . 23.7 t -53.09 -45.49 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.886 HG12 ' O ' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -54.63 -25.33 14.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.775 -179.675 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.9 t -88.45 -19.74 7.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.616 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 25.7 mt -83.94 -34.14 9.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.819 0.342 . . . . 0.0 110.389 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 29' ' ' VAL . 59.1 t -56.98 -30.86 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.559 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 37' ' ' ILE . . . -71.24 -54.76 8.54 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.462 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -47.48 -29.45 2.74 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.189 0.518 . . . . 0.0 109.987 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.5 m -70.7 -39.45 73.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.775 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' GLY . 37.9 mt -64.17 -32.46 57.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.228 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.43 -69.85 1.18 Allowed Glycine 0 C--N 1.33 0.195 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.462 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.5 mt -49.35 -43.38 16.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.444 -0.378 . . . . 0.0 110.722 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -52.59 63.94 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.903 0.382 . . . . 0.0 110.4 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.2 mt -58.54 -28.33 65.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.751 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -67.62 -43.82 79.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -60.5 -16.1 33.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.559 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.97 -62.31 1.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.465 0.174 . . . . 0.0 110.555 -179.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 CA--C 1.517 -0.316 0 C-N-CA 121.19 -0.204 . . . . 0.0 110.771 -179.828 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.05 -63.25 1.21 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.286 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.16 -53.78 51.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.204 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -52.28 -34.07 44.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.114 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -74.78 -37.62 62.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.132 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.08 -27.79 68.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.524 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.6 tp -72.66 -30.12 64.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.689 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -89.05 -47.05 8.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.27 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.636 ' HA ' HG22 ' A' ' 19' ' ' THR . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 120.888 0.375 . . . . 0.0 110.698 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.636 HG22 ' HA ' ' A' ' 16' ' ' ALA . 4.9 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.8 0.333 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -84.99 -22.68 29.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -89.29 -24.54 22.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.307 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.485 ' CD1' ' N ' ' A' ' 22' ' ' ILE . 1.1 mp -87.11 -44.0 16.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.256 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 26' ' ' TRP . . . -39.15 -33.5 0.27 Allowed Glycine 0 CA--C 1.527 0.841 0 CA-C-N 116.407 -0.36 . . . . 0.0 112.34 -179.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -57.07 -27.78 62.02 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 122.623 -0.339 . . . . 0.0 111.0 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.52 -5.65 41.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.603 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.441 ' O ' HG23 ' A' ' 30' ' ' VAL . 3.5 m95 -90.68 -51.58 5.31 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.775 0.321 . . . . 0.0 111.08 -179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -48.71 -26.62 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.701 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.8 mmt -77.37 -45.03 27.32 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.9 t -66.41 -26.39 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.336 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 26' ' ' TRP . 79.9 t -73.27 -33.28 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.253 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 27' ' ' ALA . 75.1 t -78.22 -21.82 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.78 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.8 mt -92.72 -39.2 11.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.578 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 51.6 t -83.41 -26.36 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.482 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.04 -48.21 82.25 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.66 -27.01 2.57 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.922 0.391 . . . . 0.0 110.221 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.8 m -83.32 -53.1 5.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.288 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 69.3 mt -53.83 -28.33 16.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.73 -51.36 55.54 Favored Glycine 0 C--N 1.33 0.206 0 N-CA-C 110.148 -1.181 . . . . 0.0 110.148 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.4 mt -69.41 -55.61 14.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.106 -0.547 . . . . 0.0 110.596 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.44 ' HE3' ' CA ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -47.65 -35.34 9.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.803 0.335 . . . . 0.0 110.358 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 41' ' ' LEU . 12.7 mt -61.0 -37.5 82.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.231 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -65.74 -53.57 38.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.733 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.51 -24.03 4.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.377 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -89.78 -69.37 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.345 -179.502 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.443 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 13.2 m-85 . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.618 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.331 0 CA-C-O 120.543 0.211 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -37.75 -82.55 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.924 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.422 ' HA ' ' OG ' ' A' ' 13' ' ' SER . . . -46.83 -49.56 19.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.24 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -49.95 -43.2 49.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.237 -179.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -71.69 -24.17 61.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.722 0.296 . . . . 0.0 111.091 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.422 ' OG ' ' HA ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -70.25 -8.4 49.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.779 -179.496 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.42 HD22 ' N ' ' A' ' 14' ' ' LEU . 4.0 mm? -97.3 -52.75 3.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.419 0.628 . . . . 0.0 109.723 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -43.21 -45.21 5.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.084 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.172 -179.294 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.463 0.221 0 CA-C-O 120.595 0.236 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.43 -16.43 23.42 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.779 0.323 . . . . 0.0 111.072 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -110.0 -19.39 13.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.314 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 mt -91.47 77.7 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.042 0.449 . . . . 0.0 109.802 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -172.64 -55.83 0.05 OUTLIER Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -59.0 -23.58 62.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.738 0.304 . . . . 0.0 110.664 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.826 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -76.78 -10.4 59.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.385 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -79.46 -48.48 13.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.762 0.315 . . . . 0.0 110.623 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.22 -51.6 57.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.472 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -45.39 76.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.585 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.826 HG23 ' O ' ' A' ' 25' ' ' ALA . 69.5 t -53.92 -36.76 31.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.411 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.2 -24.58 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.476 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 75.2 t -85.92 -27.06 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-O 121.009 0.433 . . . . 0.0 110.25 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.3 mt -89.62 -20.31 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.702 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 37' ' ' ILE . 1.7 t -55.53 -49.46 73.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.139 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.39 -60.89 5.5 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.792 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -46.87 -28.27 1.52 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.025 0.44 . . . . 0.0 110.172 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.9 m -71.54 -45.91 61.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.057 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 33' ' ' VAL . 61.3 mt -56.12 -46.53 81.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.259 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.16 -72.01 0.55 Allowed Glycine 0 CA--C 1.518 0.223 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.792 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.1 mt -48.05 -41.21 9.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.704 -0.248 . . . . 0.0 110.908 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -49.71 74.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.017 0.437 . . . . 0.0 110.446 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 41' ' ' LEU . 20.9 mt -54.74 -28.23 46.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.773 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -73.79 -54.34 8.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.277 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.95 -19.52 4.76 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.76 -60.28 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.166 -179.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.635 -179.806 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.519 -0.245 0 CA-C-O 121.668 0.747 . . . . 0.0 112.561 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.48 -65.86 0.98 Allowed 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.802 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.401 ' HA ' ' OG ' ' A' ' 13' ' ' SER . . . -63.82 -47.13 82.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.794 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -48.9 -41.94 35.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.6 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -71.15 -46.05 62.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.266 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.401 ' OG ' ' HA ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -52.27 -33.45 41.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.273 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.2 tp -63.75 -33.93 76.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.031 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -63.73 -36.3 83.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.541 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.756 -179.801 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.8 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.706 0.289 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -90.64 -15.72 29.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 0.0 111.253 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -104.5 -21.99 13.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.176 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 22' ' ' ILE . 8.3 mm -83.8 -8.56 11.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.53 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 26' ' ' TRP . . . -70.07 -25.64 75.34 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -56.79 -25.21 55.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.897 0.379 . . . . 0.0 110.085 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.22 -18.4 32.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.691 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.429 ' HB2' ' O ' ' A' ' 23' ' ' GLY . 1.3 m95 -65.59 -30.43 71.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.809 0.338 . . . . 0.0 110.434 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.443 ' O ' HG12 ' A' ' 30' ' ' VAL . . . -50.08 -51.24 44.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.544 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.67 -50.7 42.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.884 0.373 . . . . 0.0 110.12 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.2 t -62.16 -38.11 80.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.51 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.443 HG12 ' O ' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -61.69 -32.86 55.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.941 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 27' ' ' ALA . 95.9 t -73.58 -13.77 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.925 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 67.6 mt -94.76 -39.52 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.793 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.409 ' O ' ' HB ' ' A' ' 36' ' ' THR . 13.1 t -88.09 -35.66 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.4 -40.6 97.8 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.879 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -51.49 -31.56 24.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.004 0.431 . . . . 0.0 110.113 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 4.6 m -75.07 -44.8 45.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.969 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.6 mt -63.12 -38.25 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.103 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.83 -65.67 3.36 Favored Glycine 0 C--N 1.329 0.15 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.879 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.3 mt -56.04 -43.75 76.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.593 -0.303 . . . . 0.0 110.789 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.59 -36.45 64.43 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.736 0.303 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.458 ' HA ' HD23 ' A' ' 41' ' ' LEU . 15.7 mt -66.6 -44.67 81.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.656 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -53.11 -49.53 66.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.844 0.354 . . . . 0.0 110.628 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.92 -22.45 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.555 -179.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.463 ' HE3' ' HA ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -95.48 -74.12 0.56 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.518 0.199 . . . . 0.0 110.51 -179.648 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.832 -0.167 . . . . 0.0 110.949 -179.765 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.851 0.357 . . . . 0.0 110.65 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.463 ' N ' ' HG3' ' A' ' 8' ' ' LYS . . . -51.16 -53.39 35.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.5 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.17 -47.08 78.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.366 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.62 -34.38 78.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.229 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -77.68 -31.22 52.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.293 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.53 -28.83 69.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.014 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -68.18 -26.44 65.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.205 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -86.78 -36.09 18.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.683 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.234 -179.574 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.8 p . . . . . 0 CA--C 1.531 0.236 0 CA-C-O 120.421 0.153 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -92.8 -10.87 35.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.747 0.308 . . . . 0.0 111.768 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -92.09 -15.29 27.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.16 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.505 ' CD1' ' N ' ' A' ' 22' ' ' ILE . 1.1 mp -89.33 -46.65 15.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.057 -178.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -42.11 -32.32 1.04 Allowed Glycine 0 CA--C 1.528 0.86 0 N-CA-C 112.334 -0.306 . . . . 0.0 112.334 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -71.94 -34.97 69.46 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.659 -0.318 . . . . 0.0 110.95 -179.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.97 -19.65 19.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -77.91 -48.56 16.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.665 0.269 . . . . 0.0 110.836 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.54 -52.95 63.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.345 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -35.18 59.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.059 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.478 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -54.82 -49.2 71.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.7 t -56.51 -48.28 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.614 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.9 t -58.56 -19.13 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.967 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.8 mt -95.76 -44.1 12.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.459 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 29' ' ' VAL . 95.1 t -63.24 -28.02 44.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-O 120.792 0.33 . . . . 0.0 110.42 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.59 -52.9 6.92 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.416 ' O ' HG12 ' A' ' 39' ' ' ILE . . . -47.93 -30.3 4.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.087 0.47 . . . . 0.0 109.847 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.7 m -65.36 -47.37 76.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.606 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.1 mm -55.33 -21.53 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.874 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.23 -21.86 50.44 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.439 HD13 ' N ' ' A' ' 39' ' ' ILE . 1.8 mm -91.62 -35.71 7.26 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.351 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -45.75 90.96 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.774 179.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.1 mt -56.76 -25.34 54.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.266 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -86.63 -38.86 16.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -67.97 -48.07 66.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.805 0.336 . . . . 0.0 110.855 -179.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.458 ' HE2' ' N ' ' A' ' 45' ' ' PHE . 1.2 tmmm? -44.26 -51.7 8.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.913 -179.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.458 ' N ' ' HE2' ' A' ' 44' ' ' LYS . 9.7 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.878 0.37 . . . . 0.0 110.468 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.909 0.385 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.02 -65.7 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.885 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.15 -39.03 19.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.615 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -68.4 -37.46 80.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.375 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -77.35 -48.58 16.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.712 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -31.07 71.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.507 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.571 HD22 ' O ' ' A' ' 14' ' ' LEU . 1.4 tm? -52.14 -40.75 61.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.093 0.473 . . . . 0.0 110.139 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -72.61 -36.0 67.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.395 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.714 0.292 . . . . 0.0 111.23 -179.272 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.1 p . . . . . 0 N--CA 1.462 0.13 0 CA-C-O 120.624 0.25 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.407 ' OE1' ' CA ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -86.77 -13.1 46.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.347 -179.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -108.1 -18.96 13.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.274 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.0 mt -91.25 78.24 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.101 0.477 . . . . 0.0 109.768 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.67 -49.75 0.18 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -78.59 -24.46 45.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.693 0.282 . . . . 0.0 110.607 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.18 -24.66 60.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.515 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.477 ' O ' HG23 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -69.67 -40.03 76.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.346 -179.811 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.76 -46.16 70.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.307 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 ttp -58.72 -46.41 87.4 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 120.945 0.402 . . . . 0.0 110.305 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.5 t -55.71 -39.76 57.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.974 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 26' ' ' TRP . 91.4 t -64.58 -27.35 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.073 179.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.2 t -79.1 -27.4 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.284 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.2 mt -75.0 -22.47 17.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.915 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.528 ' O ' HG22 ' A' ' 36' ' ' THR . 18.0 t -68.02 -56.9 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.65 -27.14 5.88 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.5 -28.68 69.82 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.528 HG22 ' O ' ' A' ' 33' ' ' VAL . 0.9 OUTLIER -67.68 -42.12 82.6 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.552 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.7 mm -58.66 -25.52 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.404 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.02 -61.8 3.84 Favored Glycine 0 C--N 1.33 0.246 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.4 mt -58.97 -39.52 78.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.575 -0.313 . . . . 0.0 110.287 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.459 ' HE3' ' N ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -57.42 -47.8 80.81 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.453 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.9 mt -63.08 -39.23 94.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.644 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -54.03 -35.05 61.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.04 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -74.12 -56.92 4.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.427 -178.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.4 ' HE2' ' HB3' ' A' ' 44' ' ' LYS . 4.7 tmmm? -47.48 -53.82 13.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.375 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.607 0.242 . . . . 0.0 110.663 179.787 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.4 ' NZ ' ' HB2' ' A' ' 8' ' ' LYS . 3.2 mtmm . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 121.308 0.575 . . . . 0.0 111.945 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.97 -60.96 1.83 Allowed 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.544 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.78 -41.65 74.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.659 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.16 -33.49 70.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.39 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -85.28 -24.87 27.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.537 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.57 -28.9 23.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.401 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.4 tp -64.21 -40.29 95.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.757 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.405 ' HG3' HD12 ' A' ' 22' ' ' ILE . 45.9 tt0 -70.6 -46.29 63.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.532 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.623 179.951 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 N--CA 1.461 0.12 0 CA-C-O 120.574 0.226 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.11 -18.02 24.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 111.05 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -111.25 -21.86 11.67 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.326 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.405 HD12 ' HG3' ' A' ' 15' ' ' GLN . 3.5 mt -92.41 67.69 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.144 0 CA-C-O 121.007 0.432 . . . . 0.0 110.213 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -173.22 -56.39 0.05 OUTLIER Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -75.99 -25.79 56.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 0.0 110.548 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.909 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -67.05 -23.84 65.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.507 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -73.54 -50.56 20.74 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.216 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.679 ' O ' HG12 ' A' ' 30' ' ' VAL . . . -52.59 -33.94 48.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.182 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.5 tpp -75.61 -45.18 38.99 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.216 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 25' ' ' ALA . 87.8 t -57.93 -48.79 83.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.132 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.679 HG12 ' O ' ' A' ' 27' ' ' ALA . 0.8 OUTLIER -49.36 -34.11 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.454 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -74.5 -23.83 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.428 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 29' ' ' VAL . 57.3 mt -90.7 -45.49 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.325 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.765 ' O ' HG22 ' A' ' 36' ' ' THR . 51.7 t -71.13 -41.95 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.68 -29.97 26.8 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.35 -28.32 69.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 33' ' ' VAL . 1.1 t -72.7 -33.4 66.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.112 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 23.7 mt -63.58 -28.56 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.846 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.73 -30.36 64.01 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.427 HD13 ' N ' ' A' ' 39' ' ' ILE . 2.2 mm -91.09 -40.31 12.47 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -43.21 94.59 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.901 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.459 ' HA ' HD23 ' A' ' 41' ' ' LEU . 17.9 mt -60.84 -41.34 95.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.928 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -59.07 -49.25 78.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.499 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -18.59 13.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.84 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -93.16 -52.03 4.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.823 0.344 . . . . 0.0 110.654 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.455 179.964 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.418 ' NZ ' ' HB3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.834 0.349 . . . . 0.0 110.581 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.02 -30.78 62.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.317 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.27 -47.58 19.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.344 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -52.86 -43.4 66.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.259 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -71.96 -24.09 61.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.443 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.6 -30.64 52.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.205 179.866 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.7 tp -71.58 -39.66 70.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.976 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.03 -22.96 63.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.331 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.672 ' O ' HD11 ' A' ' 22' ' ' ILE . . . . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.563 -179.842 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.6 m . . . . . 0 N--CA 1.462 0.129 0 CA-C-O 120.736 0.303 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -75.07 -11.77 60.17 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.82 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.439 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 39.0 m-85 -117.62 -6.79 11.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.904 -179.434 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.672 HD11 ' O ' ' A' ' 16' ' ' ALA . 4.9 mt -90.29 79.12 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.487 0 CA-C-O 121.508 0.67 . . . . 0.0 109.728 179.806 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.553 ' N ' ' HB3' ' A' ' 26' ' ' TRP . . . 178.03 -52.91 0.1 OUTLIER Glycine 0 C--N 1.313 -0.74 0 N-CA-C 110.093 -1.203 . . . . 0.0 110.093 179.704 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -89.09 -35.88 16.06 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.391 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 21' ' ' TYR . . . -90.49 -10.09 44.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.485 177.532 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.553 ' HB3' ' N ' ' A' ' 23' ' ' GLY . 4.1 t-105 -90.54 -43.59 10.12 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 123.115 0.566 . . . . 0.0 109.927 -179.71 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.43 -43.55 80.9 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.279 -179.491 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -36.47 82.44 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.662 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 t -51.93 -43.81 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.79 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.1 t -59.16 -25.75 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.389 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 80.5 t -84.92 -14.64 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 39.0 mt -85.19 -42.15 16.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.766 0.317 . . . . 0.0 110.358 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.676 ' O ' HG22 ' A' ' 36' ' ' THR . 53.4 t -77.56 -36.81 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 179.543 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.09 -29.46 36.04 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 179.505 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.92 -28.25 68.79 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.513 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.676 HG22 ' O ' ' A' ' 33' ' ' VAL . 1.0 OUTLIER -70.79 -35.71 72.68 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.888 179.624 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.6 mt -62.34 -26.58 40.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.122 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.78 -30.37 61.8 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.43 HD13 ' N ' ' A' ' 39' ' ' ILE . 2.2 mm -91.35 -41.87 13.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.442 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -42.14 84.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.803 179.694 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' A' ' 41' ' ' LEU . 15.1 mt -63.96 -41.76 97.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.268 179.529 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -59.26 -31.42 69.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.99 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -81.97 -2.19 50.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.719 -179.068 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.42 -53.34 2.67 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.819 0.342 . . . . 0.0 110.865 -179.436 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.579 -179.894 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.786 0.327 . . . . 0.0 111.273 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.48 ' N ' ' HG3' ' A' ' 8' ' ' LYS . . . -75.88 -70.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.447 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -50.64 -24.6 3.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.981 -179.753 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.72 -39.55 44.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.725 0.298 . . . . 0.0 110.734 -179.719 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -83.73 -50.52 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.713 -179.774 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.85 -31.6 66.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.763 -179.755 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 62.3 tp -72.84 -41.11 65.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.725 -179.542 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -78.37 -38.12 42.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.514 -179.776 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.257 -179.95 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.459 HG22 ' HB ' ' A' ' 22' ' ' ILE . 11.4 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.997 0.427 . . . . 0.0 110.055 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.09 -5.75 59.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.781 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -99.52 -21.44 15.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.82 0.343 . . . . 0.0 110.39 179.648 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.53 HG22 ' HB2' ' A' ' 26' ' ' TRP . 8.8 mm -85.67 -42.85 16.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.77 -179.622 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -43.64 -43.67 6.52 Favored Glycine 0 C--O 1.225 -0.448 0 CA-C-O 120.075 -0.292 . . . . 0.0 113.452 -178.794 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -55.0 -43.63 73.79 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 118.003 0.901 . . . . 0.0 110.44 -178.822 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.74 -13.97 28.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.735 0.303 . . . . 0.0 110.59 178.789 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.53 ' HB2' HG22 ' A' ' 22' ' ' ILE . 6.6 t-105 -90.94 -23.93 20.3 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 122.855 0.462 . . . . 0.0 111.254 -178.358 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 23' ' ' GLY . . . -86.76 -53.18 5.07 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.641 -179.289 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -30.04 4.45 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.782 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 t -69.76 -43.06 80.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.261 179.33 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 26' ' ' TRP . 92.2 t -67.04 -46.74 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.502 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.4 t -52.88 -28.86 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-O 121.036 0.446 . . . . 0.0 110.241 179.827 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.8 mt -74.61 -29.62 23.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.656 179.668 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.9 t -82.65 -26.26 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.362 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.93 -34.97 83.53 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 109.922 -1.271 . . . . 0.0 109.922 179.425 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.406 ' O ' HG12 ' A' ' 39' ' ' ILE . . . -55.41 -33.82 63.87 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.213 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.1 m -67.62 -43.16 81.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.373 179.379 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.8 mt -62.18 -23.68 32.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 179.135 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.38 -25.57 65.52 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.661 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.434 HD13 ' N ' ' A' ' 39' ' ' ILE . 2.5 mm -90.93 -41.07 13.12 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.442 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -47.86 84.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.336 179.38 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 41' ' ' LEU . 39.1 mt -63.98 -43.16 96.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.821 179.063 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -49.62 -44.61 47.46 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.506 179.765 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -65.33 -19.0 65.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.133 -179.455 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -54.47 4.46 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-O 120.771 0.319 . . . . 0.0 110.547 -179.864 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 C--N 1.329 -0.288 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.357 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.437 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 2.7 mmmm . . . . . 0 CA--C 1.52 -0.191 0 CA-C-O 121.581 0.705 . . . . 0.0 112.517 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.33 -85.7 0.4 Allowed 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.409 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.61 -33.99 61.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.766 0.317 . . . . 0.0 110.463 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.35 -30.44 70.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.412 -179.809 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -92.61 -46.71 7.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.576 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.01 -37.92 89.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.473 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.1 tp -51.49 -43.09 62.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.282 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -52.09 -45.16 64.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.195 -179.646 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.882 -179.863 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.463 0.219 0 CA-C-O 120.538 0.209 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.5 -4.75 57.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.666 0.269 . . . . 0.0 110.534 179.188 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -108.04 -19.88 13.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.94 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.617 HG22 ' O ' ' A' ' 22' ' ' ILE . 7.8 mm -85.11 5.67 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-O 121.09 0.471 . . . . 0.0 110.311 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.471 ' O ' ' CD1' ' A' ' 24' ' ' TYR . . . -105.5 -0.41 40.25 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 120.98 -0.628 . . . . 0.0 111.852 179.76 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 23' ' ' GLY . 3.8 m-85 -140.36 -44.79 0.41 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 117.346 0.573 . . . . 0.0 111.071 -179.617 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.22 -5.29 53.96 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.858 0.361 . . . . 0.0 110.037 178.619 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.483 ' HB3' ' O ' ' A' ' 22' ' ' ILE . 1.4 t-105 -90.89 -52.84 4.66 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.168 -179.753 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.28 -52.9 62.79 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.14 -179.327 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -33.07 39.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.729 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.538 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.9 OUTLIER -65.8 -37.17 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.637 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.3 t -64.1 -28.63 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.23 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.2 t -77.79 -26.09 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-O 120.992 0.425 . . . . 0.0 110.401 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.5 mt -85.36 -26.18 6.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.144 179.776 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 29' ' ' VAL . 48.5 t -75.62 -30.15 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.06 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.05 -58.89 4.52 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.63 -28.45 3.51 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.256 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.4 m -67.9 -41.68 82.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.548 179.032 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 52.2 mt -59.7 -30.67 45.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.793 179.651 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.54 -67.37 2.04 Favored Glycine 0 N--CA 1.458 0.164 0 N-CA-C 110.734 -0.947 . . . . 0.0 110.734 179.741 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.3 mt -52.08 -39.32 26.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.69 -0.255 . . . . 0.0 110.467 -179.747 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -46.32 82.46 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.785 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' A' ' 41' ' ' LEU . 17.6 mt -54.47 -32.31 57.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.921 179.693 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -68.08 -53.53 24.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.622 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -15.04 56.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.071 -179.409 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.17 -35.2 15.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.701 0.286 . . . . 0.0 110.606 -179.282 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 . . . . . 0 C--N 1.331 -0.226 0 CA-C-O 120.81 0.338 . . . . 0.0 110.525 179.837 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.648 0.261 . . . . 0.0 111.467 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -43.25 -89.08 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.686 -179.001 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.02 -25.33 66.83 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.665 0.269 . . . . 0.0 110.885 -179.303 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.405 ' O ' ' HB2' ' A' ' 15' ' ' GLN . 2.7 t80 -67.48 -27.83 67.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.852 0.358 . . . . 0.0 110.159 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 24.4 t-20 -86.77 -32.36 20.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.476 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.74 -36.93 19.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.594 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.4 tp -78.0 -39.35 42.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.753 -179.403 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.405 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 28.9 tt0 -61.19 -36.88 81.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.933 0.397 . . . . 0.0 110.391 -179.773 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.05 -179.934 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.8 p . . . . . 0 N--CA 1.462 0.126 0 CA-C-O 120.269 0.08 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.94 -8.59 53.88 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.599 0.237 . . . . 0.0 111.026 179.888 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.461 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 29.0 m-85 -111.23 -13.23 14.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.305 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.621 HG22 ' O ' ' A' ' 22' ' ' ILE . 8.2 mt -88.7 3.02 5.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-O 120.985 0.421 . . . . 0.0 110.643 179.748 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' O ' ' CD1' ' A' ' 24' ' ' TYR . . . -105.9 -2.22 39.52 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.785 179.843 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.475 ' CD1' ' O ' ' A' ' 23' ' ' GLY . 1.3 m-85 -142.17 -45.73 0.34 Allowed 'General case' 0 C--O 1.231 0.093 0 CA-C-N 117.294 0.547 . . . . 0.0 110.55 -179.792 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 21' ' ' TYR . . . -75.86 -7.19 53.91 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 178.226 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.467 ' HB3' ' O ' ' A' ' 22' ' ' ILE . 1.3 t-105 -90.87 -57.63 2.75 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.087 -179.79 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.81 -46.79 77.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.522 -179.235 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.7 tpp -56.91 -33.55 67.06 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.323 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 30' ' ' VAL . 0.7 OUTLIER -58.6 -52.35 60.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.86 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.439 ' N ' HG12 ' A' ' 29' ' ' VAL . 59.2 t -51.84 -31.77 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.642 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.9 t -76.18 -19.03 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.802 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -88.78 -28.83 5.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.44 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.0 t -81.17 -29.39 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.67 -49.86 4.68 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.72 -29.75 4.8 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.442 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.0 m -69.13 -45.72 69.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.448 179.14 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.2 mt -57.72 -36.5 55.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.378 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.09 -21.31 61.4 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 179.318 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.416 HD13 ' N ' ' A' ' 39' ' ' ILE . 2.7 mm -90.84 -49.25 13.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.561 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.485 ' HE2' ' CA ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -53.06 -41.85 65.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.917 179.549 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 41' ' ' LEU . 60.1 mt -62.02 -42.11 98.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.267 179.671 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -59.67 -45.49 91.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.656 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.89 -39.11 73.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.749 -179.437 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -49.37 -70.37 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.75 0.31 . . . . 0.0 110.709 -179.192 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.461 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 64.9 m-85 . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.535 -179.02 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 121.225 0.536 . . . . 0.0 112.025 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.15 -73.21 0.39 Allowed 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.68 -179.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.13 -53.56 33.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.506 -179.758 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.23 -52.58 34.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.213 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -65.23 -33.62 76.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.911 179.675 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.39 -40.33 90.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.084 179.766 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.1 tp -54.6 -37.05 65.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.524 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -65.11 -28.3 69.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.599 -179.834 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.419 -179.738 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.8 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.738 0.304 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -99.69 -17.23 17.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.083 -179.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -101.52 -20.42 15.1 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.972 -179.706 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.518 ' O ' ' HB3' ' A' ' 26' ' ' TRP . 8.0 mm -80.69 -48.77 19.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 110.519 -0.178 . . . . 0.0 110.519 -179.594 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -37.7 -28.65 0.04 OUTLIER Glycine 0 CA--C 1.529 0.953 0 CA-C-O 120.298 -0.168 . . . . 0.0 113.11 -178.864 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' A' ' 22' ' ' ILE . 7.5 m-85 -107.2 -35.59 6.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 117.232 0.516 . . . . 0.0 111.476 -178.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.81 -12.85 59.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.1 -179.809 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.518 ' HB3' ' O ' ' A' ' 22' ' ' ILE . 0.8 OUTLIER -90.85 -64.1 1.18 Allowed 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.691 0.282 . . . . 0.0 110.683 -179.744 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.413 ' N ' ' CG ' ' A' ' 26' ' ' TRP . . . -48.49 -48.8 37.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.819 -179.02 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -43.63 85.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.05 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 t -54.9 -51.08 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.996 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 63.8 t -49.95 -32.33 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.863 -179.776 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 35' ' ' ALA . 92.3 t -81.53 -17.59 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -179.915 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 52.3 mt -100.41 -45.75 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.098 -179.615 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.9 t -72.8 -68.08 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.857 -179.031 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.38 -26.98 38.98 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.546 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.794 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -72.78 -22.14 60.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.55 0.214 . . . . 0.0 110.721 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.475 ' CG2' ' N ' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -82.94 -51.93 7.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.973 0.416 . . . . 0.0 110.14 -179.888 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.475 ' N ' ' CG2' ' A' ' 36' ' ' THR . 6.0 mt -51.38 -34.23 14.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.416 -179.7 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.54 -53.91 35.47 Favored Glycine 0 CA--C 1.517 0.182 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.778 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.794 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.0 mt -75.47 -35.52 32.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.428 0.156 . . . . 0.0 110.971 -179.199 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.457 ' HE3' ' N ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -63.94 -43.35 96.1 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.711 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.468 ' HA ' HD23 ' A' ' 41' ' ' LEU . 12.5 mt -52.4 -24.33 7.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.286 179.662 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -83.23 -53.04 6.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.641 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -55.62 -26.15 42.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.877 0.37 . . . . 0.0 110.645 -179.805 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.474 ' CE ' ' HA ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -58.91 -75.41 0.05 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.715 -179.224 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 120.613 0.244 . . . . 0.0 111.44 -179.065 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -67.91 63.64 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.813 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -106.42 112.78 3.93 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -110.75 18.57 19.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.568 0.223 . . . . 0.0 110.924 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.854 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 4.9 t70 47.83 94.18 0.05 OUTLIER Pre-proline 0 C--N 1.332 -0.166 0 CA-C-O 120.714 0.292 . . . . 0.0 110.649 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -86.42 14.21 2.51 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.897 2.398 . . . . 0.0 112.458 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.75 -85.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.773 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.16 -36.01 25.08 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.719 0.295 . . . . 0.0 110.837 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.854 ' HB3' ' O ' ' A' ' 5' ' ' ASP . . . -51.43 -62.29 1.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.682 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.418 ' HA ' ' OG ' ' A' ' 13' ' ' SER . . . -46.39 -46.33 18.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.99 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -63.39 -39.64 95.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.492 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -73.47 -26.66 61.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.437 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.418 ' OG ' ' HA ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -60.75 -20.89 62.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mt -84.18 -43.33 15.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.089 0.471 . . . . 0.0 110.294 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -69.68 -25.23 63.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.871 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.79 -2.0 21.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.384 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 t -93.24 42.38 1.1 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.909 0.385 . . . . 0.0 110.23 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.36 69.62 1.46 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.289 0.566 . . . . 0.0 109.627 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.2 t -65.58 -6.89 12.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.943 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -89.62 -8.42 52.58 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.619 0.247 . . . . 0.0 110.938 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -112.04 -12.68 13.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.266 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.3 mm -91.29 78.16 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 CA-C-O 121.115 0.483 . . . . 0.0 109.753 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.7 -58.11 0.1 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -69.0 -26.03 64.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.738 0.304 . . . . 0.0 110.337 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -69.34 -31.72 70.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.447 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -66.54 -41.13 89.19 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.51 -36.07 81.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.944 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.56 -37.51 85.11 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.476 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 25' ' ' ALA . 76.3 t -59.64 -44.94 94.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.043 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.13 -34.31 56.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.126 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.647 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 72.1 t -72.65 -13.38 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.807 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.9 mt -91.19 -47.98 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.424 ' O ' HG22 ' A' ' 36' ' ' THR . 6.0 t -81.54 -61.4 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.73 -26.4 5.5 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.647 ' HB2' ' O ' ' A' ' 31' ' ' VAL . . . -70.09 -23.99 63.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.66 0.266 . . . . 0.0 110.581 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.458 ' CG2' ' N ' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -82.1 -48.62 11.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.828 0.347 . . . . 0.0 110.217 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.458 ' N ' ' CG2' ' A' ' 36' ' ' THR . 47.5 mt -48.22 -34.32 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.548 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.63 -64.16 3.76 Favored Glycine 0 N--CA 1.459 0.184 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.1 mt -62.01 -33.59 59.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.634 0.254 . . . . 0.0 110.58 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -49.59 74.06 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.022 0.439 . . . . 0.0 109.96 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 41' ' ' LEU . 13.6 mt -58.38 -27.68 64.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.548 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.568 ' O ' HG23 ' A' ' 46' ' ' THR . 5.3 t80 -71.13 -43.55 67.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.025 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 47' ' ' SER . 3.3 mmtp -62.25 -38.77 90.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.141 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.469 ' HE2' ' N ' ' A' ' 45' ' ' PHE . 1.1 tmmm? -60.49 -50.64 72.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.693 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.469 ' N ' ' HE2' ' A' ' 44' ' ' LYS . 8.4 m-85 -71.1 -25.77 62.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.947 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 42' ' ' PHE . 72.2 p -96.21 -6.09 38.95 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 43' ' ' LYS . 57.8 m -111.54 9.78 21.23 Favored 'General case' 0 C--N 1.332 -0.178 0 O-C-N 122.402 -0.186 . . . . 0.0 111.166 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -62.54 -57.94 9.34 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.767 0.318 . . . . 0.0 110.662 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 48.87 52.11 14.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.6 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.391 -0.814 . . . . 0.0 110.481 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -49.61 123.59 8.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.597 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.53 95.17 0.18 Allowed Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -158.77 -67.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.999 0.428 . . . . 0.0 110.39 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -179.65 79.51 0.2 Allowed Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.281 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -87.93 11.62 3.09 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.944 2.43 . . . . 0.0 112.126 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -100.29 16.53 24.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.779 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.1 -31.53 70.12 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.863 0.364 . . . . 0.0 110.349 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.68 -50.46 15.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.231 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.63 -27.58 68.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.24 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -74.5 -45.36 46.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.338 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -73.37 -22.16 60.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.653 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.07 -32.92 21.13 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.825 0.345 . . . . 0.0 110.375 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.4 tp -53.67 -40.18 65.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.064 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -62.45 -38.29 89.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.513 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.89 17.35 7.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 p -110.87 37.9 2.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.271 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.17 47.89 1.29 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.258 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.6 p -97.81 26.78 4.86 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.29 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.486 ' O ' ' CZ ' ' A' ' 24' ' ' TYR . 0.7 OUTLIER -85.69 -10.2 56.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.973 179.802 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -110.45 -21.6 12.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.308 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.471 HG22 ' O ' ' A' ' 22' ' ' ILE . 8.5 mm -89.93 -5.45 10.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 116.91 -0.132 . . . . 0.0 111.052 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.99 -25.08 53.65 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.498 ' CD1' ' N ' ' A' ' 24' ' ' TYR . 1.6 m-30 -77.22 -28.45 53.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.708 0.289 . . . . 0.0 110.347 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.53 -15.25 60.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.905 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.527 ' CZ3' HG11 ' A' ' 29' ' ' VAL . 5.8 m95 -84.53 -53.45 5.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.871 0.367 . . . . 0.0 110.838 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.07 -34.09 3.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.416 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.4 mmt -74.16 -40.47 62.56 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.824 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -49.6 -51.3 15.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.752 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.425 ' N ' HG12 ' A' ' 29' ' ' VAL . 66.2 t -50.58 -35.7 13.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.383 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.3 t -78.48 -26.7 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.262 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.5 mt -83.42 -23.67 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.211 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 29' ' ' VAL . 83.9 t -66.29 -34.39 69.86 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.1 -44.54 66.29 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.412 ' O ' HG12 ' A' ' 39' ' ' ILE . . . -50.6 -25.87 4.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.873 0.368 . . . . 0.0 110.074 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.1 m -78.3 -43.9 26.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.226 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.4 mt -58.02 -23.14 20.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.622 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.38 -22.8 61.92 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.442 HD13 ' N ' ' A' ' 39' ' ' ILE . 2.1 mm -91.29 -37.81 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -51.55 67.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.625 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 41' ' ' LEU . 21.7 mt -56.79 -30.38 63.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.076 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -71.87 -26.88 62.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.663 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.6 14.95 10.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.458 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.59 -51.9 2.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.876 0.37 . . . . 0.0 110.464 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -59.5 -27.06 65.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.453 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.5 p -92.29 -21.62 20.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.8 p -68.27 -24.92 64.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.32 . . . . 0.0 110.382 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -51.21 -46.53 62.25 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.536 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -39.47 111.13 0.17 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.491 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.508 -0.758 . . . . 0.0 110.437 179.924 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 174.34 50.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.36 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 59.81 108.87 0.01 OUTLIER Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.93 -62.7 1.27 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.922 0.391 . . . . 0.0 110.218 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -51.39 147.45 10.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.254 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -84.52 13.43 2.75 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.865 2.377 . . . . 0.0 112.848 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.29 -24.78 12.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.771 0.32 . . . . 0.0 110.45 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -51.14 -25.34 5.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.462 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.22 -68.53 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.568 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.402 ' HA ' ' OG ' ' A' ' 13' ' ' SER . . . -47.82 -50.24 26.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.968 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -56.87 -38.91 73.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -74.33 -23.51 59.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 110.767 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.402 ' OG ' ' HA ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -71.27 -21.9 62.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.299 -179.685 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mt -88.88 -43.28 11.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.968 0.413 . . . . 0.0 110.602 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -74.52 -31.78 62.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.514 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.05 17.94 14.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.953 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 t -151.43 27.11 0.67 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.673 0.273 . . . . 0.0 110.803 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.0 -56.83 2.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.872 0.367 . . . . 0.0 110.402 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 t -97.63 30.57 2.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.643 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -81.88 -18.25 44.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -102.39 -22.08 14.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.056 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.497 HG22 ' O ' ' A' ' 22' ' ' ILE . 8.3 mm -90.45 -4.16 10.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.07 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.03 -19.65 79.8 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -83.06 -24.3 32.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.747 0.308 . . . . 0.0 110.66 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.771 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -72.69 -19.36 61.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.033 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -70.3 -25.36 63.29 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.698 0.285 . . . . 0.0 110.627 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.741 ' O ' HG12 ' A' ' 30' ' ' VAL . . . -69.25 -53.71 18.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.55 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -32.1 70.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.191 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 25' ' ' ALA . 98.6 t -69.19 -50.7 50.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.217 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.741 HG12 ' O ' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -49.52 -29.37 4.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.488 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.3 t -76.87 -27.02 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.277 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' VAL . 70.7 mt -84.84 -21.55 7.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.372 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.0 t -74.1 -25.76 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 37' ' ' ILE . . . -72.83 -54.81 6.92 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.533 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -47.99 -29.3 3.34 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.159 0.504 . . . . 0.0 109.791 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 23.3 m -68.66 -41.85 78.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.388 178.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 34' ' ' GLY . 48.4 mt -62.85 -38.76 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.862 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.87 -63.73 4.99 Favored Glycine 0 C--N 1.329 0.146 0 N-CA-C 110.696 -0.962 . . . . 0.0 110.696 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.3 mt -58.33 -44.82 89.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.634 -0.283 . . . . 0.0 110.59 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -53.63 -39.85 65.3 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 120.869 0.366 . . . . 0.0 110.25 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' A' ' 41' ' ' LEU . 18.1 mt -63.81 -50.79 67.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.13 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -43.7 -33.09 1.14 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.874 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -84.82 -58.04 2.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.077 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.411 ' O ' ' NZ ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -50.91 -33.43 24.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.173 -179.331 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -49.77 -40.31 40.86 Favored 'General case' 0 C--O 1.231 0.109 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.8 p -79.53 -24.16 42.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.5 m -91.86 17.28 9.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 3.3 mmmp? -51.69 -60.79 2.76 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.714 0.293 . . . . 0.0 110.518 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 48' ' ' LYS . . . 68.27 124.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.507 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.527 -0.749 . . . . 0.0 110.404 179.865 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 120.753 0.311 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 67.39 119.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.546 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.94 22.06 0.89 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -145.52 79.05 1.56 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.802 0.334 . . . . 0.0 110.107 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -46.37 101.92 0.28 Allowed Pre-proline 0 N--CA 1.463 0.176 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -87.15 14.02 2.53 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.902 2.401 . . . . 0.0 112.391 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.15 21.98 5.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.851 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -63.01 -29.13 70.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.841 0.353 . . . . 0.0 110.227 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 13' ' ' SER . . . -57.94 -44.25 86.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.188 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.52 -41.38 73.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.523 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -70.33 -46.14 64.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.346 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -67.31 -39.07 85.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.879 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 9' ' ' ALA . 0.7 OUTLIER -58.47 -28.07 64.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.491 -179.804 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.5 tp -72.51 -38.82 68.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.777 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -76.67 -30.97 56.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.992 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.15 16.68 5.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.485 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.08 -54.41 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.375 . . . . 0.0 110.299 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.66 63.81 1.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.369 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.1 p -68.26 -12.71 61.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.999 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.499 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 0.5 OUTLIER -82.29 1.67 35.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.563 0.22 . . . . 0.0 110.548 179.234 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.609 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 11.9 m-85 -106.92 17.26 23.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.71 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.2 mm -80.75 -43.48 21.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.828 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.99 2.09 78.9 Favored Glycine 0 CA--C 1.528 0.844 0 C-N-CA 121.217 -0.516 . . . . 0.0 112.877 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.499 ' CD2' ' O ' ' A' ' 20' ' ' GLU . 2.6 m-85 -124.69 -39.52 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 117.595 0.697 . . . . 0.0 111.863 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 21' ' ' TYR . . . -65.8 -16.83 64.17 Favored 'General case' 0 C--N 1.333 -0.147 0 O-C-N 122.339 -0.226 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -77.44 -29.36 52.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.761 0.315 . . . . 0.0 110.425 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.34 -24.91 63.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.259 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.4 mmm -83.55 -37.65 22.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.322 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.897 ' O ' HG23 ' A' ' 33' ' ' VAL . 69.7 t -57.25 -34.7 46.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.136 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.05 -36.44 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.405 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.7 t -77.12 -18.78 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.949 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.1 mt -95.7 -29.69 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.325 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 29' ' ' VAL . 53.4 t -60.45 -32.88 52.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-O 120.665 0.269 . . . . 0.0 110.358 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.82 -53.82 6.95 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.8 -31.34 2.96 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.165 0.507 . . . . 0.0 109.84 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.4 m -64.48 -43.68 93.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.554 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.4 mt -61.88 -26.82 40.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.089 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.25 -59.42 6.32 Favored Glycine 0 CA--C 1.517 0.194 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.6 mt -61.41 -43.04 96.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.53 -0.335 . . . . 0.0 110.857 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -40.96 74.85 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.793 0.33 . . . . 0.0 110.636 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.424 ' HA ' HD23 ' A' ' 41' ' ' LEU . 12.6 mt -55.4 -25.87 38.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.631 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.432 ' O ' HG23 ' A' ' 46' ' ' THR . 91.1 t80 -80.72 -54.33 5.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.646 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -15.91 41.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.942 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.74 -43.05 15.89 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.575 0.226 . . . . 0.0 110.882 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -76.72 -30.89 56.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.838 0.351 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 42' ' ' PHE . 43.8 p -84.88 -11.01 56.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.386 -179.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 m -86.18 -35.54 20.04 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.935 0.398 . . . . 0.0 110.198 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.0 mmtm -46.75 -32.36 3.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.095 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -39.12 -61.96 0.7 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.721 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.488 -0.768 . . . . 0.0 110.642 -179.821 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -49.4 113.0 0.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.708 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.52 147.98 38.03 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -89.1 -52.26 5.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.967 0.413 . . . . 0.0 110.64 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.446 ' OD2' ' HB3' ' A' ' 7' ' ' ALA . 16.1 t70 63.2 140.11 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.343 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -85.81 -24.22 1.87 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.858 2.372 . . . . 0.0 112.077 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.446 ' HB3' ' OD2' ' A' ' 5' ' ' ASP . . . -71.78 -55.36 7.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.638 -179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -69.5 -27.05 64.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.562 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.63 -67.25 0.22 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.538 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.02 -51.82 68.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.486 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -51.42 -35.97 41.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -73.1 -39.06 66.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.513 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.34 -27.96 50.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.32 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.1 tp -76.07 -32.67 59.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.487 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -82.01 -27.71 32.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.854 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.26 10.42 14.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.152 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.93 -39.99 4.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.753 0.311 . . . . 0.0 110.446 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -96.18 49.92 1.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.535 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.6 p -98.35 24.18 7.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.339 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.41 -0.05 41.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.227 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -114.82 -8.43 12.58 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.3 mm -91.09 -46.04 14.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.03 -18.62 41.67 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.807 -0.517 . . . . 0.0 111.807 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -89.78 -24.71 21.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.023 0.412 . . . . 0.0 110.554 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.621 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -67.8 -12.2 60.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.517 179.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -79.09 -40.62 30.71 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-O 120.897 0.38 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.581 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -61.34 -30.08 70.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.523 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.0 mmt -76.31 -24.74 54.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.16 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 25' ' ' ALA . 94.7 t -78.39 -31.45 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.212 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.7 t -73.47 -38.63 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.356 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 27' ' ' ALA . 91.5 t -68.13 -21.86 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-O 120.91 0.386 . . . . 0.0 110.783 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.2 mt -94.36 -54.36 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.362 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 78.9 t -72.92 -24.49 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.195 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.03 -41.3 97.29 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.425 ' O ' HG12 ' A' ' 39' ' ' ILE . . . -51.18 -29.35 13.61 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.8 m -77.24 -51.41 10.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.893 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.8 mt -53.61 -27.32 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.58 -25.88 74.26 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.437 HD13 ' N ' ' A' ' 39' ' ' ILE . 2.5 mm -91.5 -45.0 14.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.087 0.47 . . . . 0.0 109.837 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -30.62 54.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.83 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' A' ' 41' ' ' LEU . 12.6 mt -68.0 -51.29 48.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.115 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -52.94 -51.35 61.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.482 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -14.65 53.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.177 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.61 -54.73 5.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.741 0.305 . . . . 0.0 110.88 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -61.94 -34.45 76.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.5 p -84.51 6.34 24.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.537 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 55.0 p -126.16 18.36 7.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.46 0.171 . . . . 0.0 111.053 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.412 ' HA ' ' HE2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -59.96 -54.93 40.25 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.701 0.286 . . . . 0.0 110.391 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.25 129.3 27.64 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.407 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.491 -0.766 . . . . 0.0 110.473 -179.956 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 176.01 130.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.32 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.27 -178.69 37.45 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -107.86 44.05 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.328 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -176.35 79.48 0.27 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.455 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.605 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 49.8 Cg_endo -84.81 -4.97 9.86 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.891 2.394 . . . . 0.0 112.709 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . 85.96 -48.98 0.07 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.939 0.495 . . . . 0.0 110.132 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 9' ' ' ALA . 6.4 ptmm? -63.81 -39.05 93.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.136 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 8' ' ' LYS . . . -64.27 -30.93 71.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.933 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.2 -47.32 62.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.918 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -63.12 -32.39 73.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.994 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -82.1 -23.83 35.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.331 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -23.94 67.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.439 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 mt -75.89 -40.45 54.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.08 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -80.4 -29.59 37.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.555 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.01 14.72 8.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.24 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.7 t -96.67 28.01 3.62 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.881 0.372 . . . . 0.0 110.251 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.47 64.5 1.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.272 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.8 p -74.26 -3.84 32.47 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.147 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -76.01 -9.78 58.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.703 0.287 . . . . 0.0 111.178 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -102.04 -23.42 14.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.64 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.4 mm -86.84 -14.45 10.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.76 -31.3 75.1 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -53.63 -27.54 27.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.86 0.362 . . . . 0.0 110.262 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.815 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -86.0 -27.18 25.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.663 ' O ' HG23 ' A' ' 30' ' ' VAL . 1.9 m95 -56.61 -32.28 65.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.227 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.27 -47.82 39.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.726 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.6 tpp -66.19 -38.43 88.0 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.254 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 25' ' ' ALA . 59.7 t -55.68 -30.67 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.0 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 26' ' ' TRP . 92.7 t -69.95 -30.82 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.04 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.4 t -80.15 -15.26 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.819 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 42.8 mt -84.71 -26.06 6.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.304 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -69.41 -59.68 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.56 -26.09 7.13 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.814 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -67.36 -26.49 66.5 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.497 ' CG2' ' N ' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -76.04 -54.08 7.38 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.731 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.497 ' N ' ' CG2' ' A' ' 36' ' ' THR . 44.8 mt -47.95 -25.9 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.99 -60.11 3.22 Favored Glycine 0 CA--C 1.519 0.327 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.814 HD12 ' O ' ' A' ' 35' ' ' ALA . 3.4 mt -67.84 -24.11 30.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.64 0.257 . . . . 0.0 110.826 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -71.33 -44.28 65.41 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.596 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.3 mt -63.14 -35.19 79.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.737 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.658 ' CE2' HG21 ' A' ' 46' ' ' THR . 4.0 t80 -63.43 -44.56 94.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.95 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 47' ' ' SER . 0.0 OUTLIER -56.63 -38.29 71.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.781 -178.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.4 ' O ' ' NZ ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -77.72 -52.2 9.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.51 0.195 . . . . 0.0 110.902 -178.863 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -57.92 -41.15 82.11 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.64 0.257 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.658 HG21 ' CE2' ' A' ' 42' ' ' PHE . 44.0 p -84.42 -8.57 58.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.252 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 43' ' ' LYS . 2.6 t -75.18 -21.14 58.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.528 0.204 . . . . 0.0 110.581 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.499 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 11.9 mtpp -41.6 -57.9 2.12 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.764 0.316 . . . . 0.0 111.206 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 48' ' ' LYS . . . 70.7 174.26 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.132 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.1 m . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.528 -0.748 . . . . 0.0 110.468 -179.87 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 120.811 0.339 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 174.76 46.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 175.24 115.03 0.39 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -130.35 -68.01 0.71 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.88 0.371 . . . . 0.0 110.56 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -169.77 116.29 0.52 Allowed Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.286 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -86.56 12.28 3.05 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.751 2.301 . . . . 0.0 112.306 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.63 -21.18 22.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.72 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.459 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -71.73 -30.47 65.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.374 . . . . 0.0 110.32 -179.856 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.45 -27.66 0.76 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.979 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.1 -50.17 6.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.364 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -53.29 -34.92 59.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.387 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -72.99 -32.76 65.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.332 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -21.86 40.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.298 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 mt -85.99 -44.12 12.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.367 . . . . 0.0 110.865 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -67.63 -36.29 80.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.708 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.7 -21.9 20.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.603 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 p -64.84 -15.06 61.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.96 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.3 -13.83 52.32 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.188 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.5 p -94.83 37.73 1.13 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.866 0.365 . . . . 0.0 110.449 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -83.65 -3.59 57.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.594 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -107.72 -18.09 13.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.445 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.476 HG22 ' O ' ' A' ' 22' ' ' ILE . 7.3 mm -88.68 -6.5 10.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 121.28 -0.168 . . . . 0.0 111.268 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.52 -41.48 36.15 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -70.84 -31.16 67.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.771 0.319 . . . . 0.0 110.456 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.812 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -60.59 -24.03 65.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.418 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.415 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.6 OUTLIER -61.53 -37.15 82.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.302 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.33 -50.14 55.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.263 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -43.01 86.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.041 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 25' ' ' ALA . 54.1 t -52.37 -29.16 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.277 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 26' ' ' TRP . 88.7 t -78.75 -35.88 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.245 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.1 t -70.8 -25.39 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.371 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 56.0 mt -79.18 -22.43 12.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.274 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.5 t -84.92 -35.2 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.92 -56.11 11.88 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.876 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -48.83 -29.05 4.18 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.078 0.466 . . . . 0.0 109.871 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.9 m -73.4 -49.15 28.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.093 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 82.9 mt -64.52 -27.04 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.397 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.51 -54.8 24.05 Favored Glycine 0 N--CA 1.459 0.199 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.876 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.4 mt -68.73 -46.71 79.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.515 -0.343 . . . . 0.0 110.687 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -43.33 65.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 0.0 110.404 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.498 ' HA ' HD23 ' A' ' 41' ' ' LEU . 13.0 mt -60.81 -30.12 69.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.933 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.592 ' CE2' HG21 ' A' ' 46' ' ' THR . 13.3 t80 -71.23 -53.61 13.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.173 -179.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 47' ' ' SER . 0.2 OUTLIER -56.32 -18.52 11.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.38 -0.373 . . . . 0.0 112.0 -179.162 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.462 ' CE ' ' HA ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -90.63 -56.47 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.706 0.288 . . . . 0.0 110.96 -179.442 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -62.73 -36.82 84.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.77 0.319 . . . . 0.0 111.04 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.592 HG21 ' CE2' ' A' ' 42' ' ' PHE . 34.7 p -86.9 11.08 14.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.321 -179.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -159.23 40.01 0.21 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.775 0.321 . . . . 0.0 110.827 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -50.9 -54.24 25.76 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.838 0.351 . . . . 0.0 110.279 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 53.63 87.89 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.263 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.394 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 66.76 99.18 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.36 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 60.94 144.68 0.01 OUTLIER Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.43 -24.23 59.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.727 0.298 . . . . 0.0 110.401 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -42.62 99.47 0.21 Allowed Pre-proline 0 N--CA 1.465 0.277 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -87.76 -20.36 2.0 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.986 2.457 . . . . 0.0 112.292 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.39 -18.02 47.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.064 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 9' ' ' ALA . 7.5 ptmm? -41.39 -33.24 0.39 Allowed 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.778 0.323 . . . . 0.0 111.148 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 8' ' ' LYS . . . -74.4 -64.14 1.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.321 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.417 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -56.8 -30.28 63.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.551 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.93 -43.96 94.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.915 0.388 . . . . 0.0 110.367 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -74.31 -41.05 61.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.03 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.95 -36.08 64.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.028 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.417 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 16.3 tp -69.63 -41.26 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.697 0.284 . . . . 0.0 110.645 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -53.33 -36.22 61.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.59 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.9 -14.12 61.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.26 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.3 p -106.18 -31.68 8.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.765 0.316 . . . . 0.0 110.572 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.34 66.39 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.996 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.2 t -69.81 -4.46 20.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.789 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -80.52 -0.31 36.97 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.707 0.289 . . . . 0.0 110.583 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -101.06 -0.55 36.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.383 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.5 mt -90.26 79.13 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.255 0 CA-C-O 121.325 0.583 . . . . 0.0 109.558 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.14 -44.77 0.4 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.28 -1.128 . . . . 0.0 110.28 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -92.95 -32.26 14.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.87 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -66.25 -26.59 67.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.341 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.706 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.58 -46.56 85.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.062 179.84 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.41 -29.01 68.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.371 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.5 mmm -84.77 -43.4 14.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.197 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.896 ' O ' HG23 ' A' ' 33' ' ' VAL . 62.1 t -52.6 -43.14 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.422 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 26' ' ' TRP . 45.3 t -61.34 -40.9 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.275 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 31' ' ' VAL . 92.4 t -72.86 -12.05 15.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.59 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.414 HG22 ' OG1' ' A' ' 36' ' ' THR . 41.6 mt -98.82 -38.85 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.474 0.178 . . . . 0.0 111.316 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 29' ' ' VAL . 20.3 t -46.26 -40.35 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 120.658 0.266 . . . . 0.0 111.295 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -89.5 -56.19 1.93 Allowed Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.82 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -49.02 -29.35 4.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.077 0.465 . . . . 0.0 109.749 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.427 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 16.9 m -65.07 -49.44 70.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.512 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 55.9 mt -59.79 -36.19 64.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.418 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.89 -70.03 1.14 Allowed Glycine 0 N--CA 1.459 0.215 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.82 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.0 mt -49.34 -35.44 8.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.607 -0.297 . . . . 0.0 110.911 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -60.76 -54.65 42.56 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.932 0.396 . . . . 0.0 110.083 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 41' ' ' LEU . 12.7 mt -51.84 -27.62 13.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.772 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 1.01 ' CE2' HG21 ' A' ' 46' ' ' THR . 16.6 t80 -71.12 -50.52 32.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.096 -179.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -19.37 16.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.156 -0.474 . . . . 0.0 112.276 -178.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.409 ' HD3' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -83.92 -40.81 18.1 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 120.71 0.29 . . . . 0.0 110.874 -179.098 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -83.64 -41.56 17.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.321 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 1.01 HG21 ' CE2' ' A' ' 42' ' ' PHE . 46.4 p -83.77 -43.59 15.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.0 0.429 . . . . 0.0 110.233 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.67 52.44 0.73 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -50.58 -48.47 57.63 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.499 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.59 -38.96 33.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.609 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.9 p . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.478 -0.772 . . . . 0.0 110.446 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -50.38 121.2 5.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.626 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 49.01 -161.56 0.63 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.49 -73.8 0.68 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.943 0.401 . . . . 0.0 110.473 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.7 t0 62.1 120.93 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.121 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -81.93 -38.86 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.389 2.06 . . . . 0.0 112.215 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 41.92 30.4 0.17 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.984 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 0.0 OUTLIER 33.82 74.59 0.06 Allowed 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.42 0.688 . . . . 0.0 111.85 179.676 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.35 -73.44 0.12 Allowed 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.528 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.42 -28.67 55.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.535 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.429 ' HB3' ' HB3' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -75.17 -49.89 18.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.567 -179.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 17.2 t-20 -64.31 -26.59 68.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.324 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -29.34 67.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.973 0.416 . . . . 0.0 110.085 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -73.66 -38.23 65.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.543 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -71.65 -34.78 70.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.748 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.09 -24.42 6.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 t -72.73 -13.69 61.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -94.76 63.8 2.86 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.193 0.52 . . . . 0.0 109.966 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.2 p -81.22 3.39 23.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -96.18 0.41 51.13 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 120.557 0.218 . . . . 0.0 111.207 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -106.51 2.75 26.46 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.9 mt -91.1 76.55 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.222 0.534 . . . . 0.0 109.669 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.35 -45.31 0.35 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.46 -1.056 . . . . 0.0 110.46 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -84.51 -33.57 23.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.336 . . . . 0.0 110.275 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.87 -21.46 66.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.495 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.492 ' O ' HG23 ' A' ' 30' ' ' VAL . 2.2 m95 -68.14 -37.08 80.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.249 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.419 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -53.4 -32.93 51.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.48 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 mmt -80.86 -51.62 8.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.139 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.557 ' O ' HG23 ' A' ' 33' ' ' VAL . 94.9 t -49.98 -25.59 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.481 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 26' ' ' TRP . 61.1 t -79.91 -37.02 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.015 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 27' ' ' ALA . 76.7 t -75.72 -19.94 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.703 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 38.6 mt -90.72 -40.07 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.049 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 29' ' ' VAL . 55.7 t -72.4 -53.08 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.87 -26.73 5.93 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.447 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -68.53 -23.95 64.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.632 0.254 . . . . 0.0 110.525 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 33' ' ' VAL . 0.6 OUTLIER -82.64 -46.6 13.05 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.421 ' N ' ' CG2' ' A' ' 36' ' ' THR . 56.1 mt -51.38 -30.69 10.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.979 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.87 -68.75 1.54 Allowed Glycine 0 C--N 1.329 0.147 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.447 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.3 mt -57.9 -34.45 48.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.728 0.299 . . . . 0.0 110.458 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -62.54 -50.96 69.28 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.905 0.384 . . . . 0.0 110.016 179.676 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.429 ' HA ' HD23 ' A' ' 41' ' ' LEU . 12.4 mt -55.22 -23.47 22.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.363 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -75.76 -31.61 59.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -83.02 -14.05 54.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.403 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.27 -55.23 4.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.828 0.347 . . . . 0.0 110.725 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -57.03 -25.59 58.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.663 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.8 p -91.2 -20.1 22.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.041 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.6 t -70.79 -24.22 62.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.737 0.303 . . . . 0.0 110.408 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -44.98 -28.55 0.69 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.158 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.24 -62.89 0.68 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.459 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.474 -0.774 . . . . 0.0 110.439 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 120.782 0.325 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 52.6 53.21 12.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.389 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.52 -104.66 0.03 OUTLIER Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -68.5 63.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.853 0.358 . . . . 0.0 110.731 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -56.19 124.25 59.01 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.26 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -82.51 -12.53 10.13 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.531 2.154 . . . . 0.0 112.66 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.63 -25.89 12.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.709 0.29 . . . . 0.0 110.706 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 4.0 mtpp -61.28 -25.14 66.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.644 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.23 -78.65 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.594 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.65 -54.66 11.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.99 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -50.69 -37.54 41.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.419 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -71.59 -35.94 70.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.356 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.63 -29.57 70.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.756 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.6 tp -78.32 -31.13 48.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.796 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -92.66 -37.27 12.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.765 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.55 -6.34 40.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.306 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 m -73.84 -48.07 33.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.777 0.322 . . . . 0.0 110.572 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.45 29.91 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.739 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.665 ' O ' HG22 ' A' ' 19' ' ' THR . 64.5 m -98.99 34.33 2.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.075 0.464 . . . . 0.0 110.315 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.31 -14.84 34.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.269 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -104.39 -22.21 13.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.624 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.514 ' HB ' HG23 ' A' ' 19' ' ' THR . 2.0 mm -80.27 -21.54 11.65 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.229 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.9 -12.56 57.51 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -71.98 -34.79 69.22 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.647 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -70.68 -26.07 63.27 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -62.52 -30.89 71.62 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.897 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.599 ' O ' HG12 ' A' ' 30' ' ' VAL . . . -69.91 -28.57 65.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.08 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 mmt -85.94 -45.75 11.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.859 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 25' ' ' ALA . 98.0 t -53.26 -41.79 44.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.357 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.599 HG12 ' O ' ' A' ' 27' ' ' ALA . 3.0 p -59.86 -31.93 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.982 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.5 t -77.44 -25.65 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.687 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.7 mt -88.04 -37.22 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.011 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.0 t -83.07 -26.65 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.48 -39.25 69.21 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.43 -32.45 49.83 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.409 ' HA ' HG12 ' A' ' 39' ' ' ILE . 15.7 m -67.34 -48.12 68.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.227 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.3 mt -55.42 -31.04 26.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.49 -20.66 73.9 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.437 HD13 ' N ' ' A' ' 39' ' ' ILE . 2.3 mm -91.05 -45.57 14.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.446 ' HE3' ' CA ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -56.95 -46.66 81.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.481 179.04 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.6 mt -55.76 -35.92 66.75 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.508 ' CD1' ' HA ' ' A' ' 46' ' ' THR . 0.5 OUTLIER -67.38 -50.69 58.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.848 179.533 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -15.09 42.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.321 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.34 -59.41 1.76 Allowed 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.412 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 5.3 m-85 -83.69 -34.06 25.03 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 120.662 0.268 . . . . 0.0 110.745 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.508 ' HA ' ' CD1' ' A' ' 42' ' ' PHE . 0.9 OUTLIER 40.37 59.64 2.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.951 0.405 . . . . 0.0 111.565 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 p 49.03 24.85 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.303 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -47.05 -55.57 8.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.843 0.354 . . . . 0.0 110.593 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.54 156.23 0.06 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.7 p . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.439 -0.791 . . . . 0.0 110.531 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 177.94 42.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.383 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -103.75 128.13 9.39 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.68 -34.19 72.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.337 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 45.5 t0 179.5 84.35 0.18 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.393 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.596 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 47.8 Cg_endo -81.4 -17.52 8.86 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.732 2.288 . . . . 0.0 112.38 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . 85.78 -48.22 0.07 Allowed 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.021 0.528 . . . . 0.0 110.296 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -32.34 73.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.426 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.441 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -53.12 -73.2 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.717 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.17 -33.54 3.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.938 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.67 -39.41 62.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.523 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -74.66 -27.48 60.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.56 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.35 -29.86 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.29 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.3 tp -70.53 -42.48 71.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.382 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -68.42 -35.26 77.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.594 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.33 -6.18 44.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.085 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 m -118.91 55.54 0.92 Allowed 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.14 59.47 3.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.334 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.0 t -91.26 23.22 3.43 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.119 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -85.51 0.0 53.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.018 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -100.55 -21.49 15.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.969 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 mm -83.95 -30.42 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.379 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -46.51 -28.83 3.64 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -73.95 -22.11 59.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.674 0.273 . . . . 0.0 111.13 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.637 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -76.94 -9.35 58.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.42 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.512 ' O ' HG23 ' A' ' 30' ' ' VAL . 4.7 m95 -82.98 -42.62 17.36 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.788 0.328 . . . . 0.0 110.57 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.706 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -54.85 -26.43 35.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.551 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.8 mmm -84.97 -34.39 22.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.2 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 25' ' ' ALA . 84.1 t -74.4 -31.54 28.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.179 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 26' ' ' TRP . 75.2 t -69.95 -42.05 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.038 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 27' ' ' ALA . 98.8 t -64.76 -21.68 29.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.637 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.2 mt -100.45 -62.63 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.607 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.416 ' O ' ' HB ' ' A' ' 36' ' ' THR . 70.3 t -77.71 -49.02 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.652 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.97 -49.21 59.8 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.402 ' O ' HG12 ' A' ' 39' ' ' ILE . . . -48.81 -26.97 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.925 0.393 . . . . 0.0 110.414 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 3.1 m -85.99 -55.22 4.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.982 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.6 mt -51.89 -28.16 9.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.14 -21.66 77.13 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.431 HD13 ' N ' ' A' ' 39' ' ' ILE . 2.7 mm -91.0 -48.07 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.449 ' HE3' ' CA ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -53.9 -46.5 71.44 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.898 179.574 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 41' ' ' LEU . 18.8 mt -58.18 -28.88 65.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.348 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.609 ' CE2' HG21 ' A' ' 46' ' ' THR . 9.7 t80 -74.68 -52.97 10.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.559 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -24.43 64.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.558 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 5.8 tttp -80.8 -37.5 30.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.737 0.303 . . . . 0.0 110.309 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -87.08 -37.75 17.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.609 HG21 ' CE2' ' A' ' 42' ' ' PHE . 44.2 p -86.02 -45.59 11.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.544 -178.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.72 35.95 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.108 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.551 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 10.6 mtmt -47.68 -64.55 0.76 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.946 0.403 . . . . 0.0 110.563 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 167.46 54.35 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.314 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.542 -0.742 . . . . 0.0 110.365 -179.914 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 120.869 0.366 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 61.94 -179.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.87 150.79 38.79 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -140.07 58.82 1.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.801 0.334 . . . . 0.0 110.3 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -178.85 94.84 0.21 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.393 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -81.78 -22.99 5.0 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.764 2.31 . . . . 0.0 112.203 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 57.33 25.82 11.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.245 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.438 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 37.07 81.37 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 123.265 0.626 . . . . 0.0 112.066 179.663 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.62 -44.29 9.13 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.118 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.79 -25.01 48.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.257 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.58 -57.39 3.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.273 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -54.31 -45.84 72.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.206 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.19 -28.47 69.16 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.057 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.675 ' O ' HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -62.77 -43.6 98.38 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -66.72 -39.07 87.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.152 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.32 15.95 9.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.122 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.2 m -139.61 62.65 1.51 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.803 0.335 . . . . 0.0 110.375 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.34 -1.97 58.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.173 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 t -95.4 27.51 3.32 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.929 0.395 . . . . 0.0 110.593 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -86.49 -18.76 30.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.946 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -90.61 -21.39 21.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.6 mm -87.92 -11.2 10.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.242 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.64 -44.5 63.21 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -70.9 -24.2 62.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.691 0.281 . . . . 0.0 110.389 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.719 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -65.93 -30.35 70.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.24 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.889 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -56.5 -27.01 56.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.287 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.82 -45.92 55.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.37 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -38.61 71.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.392 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 25' ' ' ALA . 99.4 t -57.88 -35.71 52.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.433 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 26' ' ' TRP . 93.1 t -65.68 -35.88 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.4 t -73.01 -20.0 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 67.2 mt -93.92 -47.84 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.402 ' O ' ' HB ' ' A' ' 36' ' ' THR . 70.0 t -68.02 -25.37 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.421 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.5 -53.17 26.15 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.78 -29.04 1.74 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.099 0.476 . . . . 0.0 110.232 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 17.4 m -73.5 -50.35 21.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.01 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.0 mm -51.88 -36.39 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.861 0.362 . . . . 0.0 110.219 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -53.62 -69.44 1.22 Allowed Glycine 0 C--N 1.329 0.165 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.2 mt -48.65 -44.32 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.445 -0.378 . . . . 0.0 110.664 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.408 ' HE3' ' CA ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -53.08 -50.6 64.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.798 0.332 . . . . 0.0 110.285 179.573 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.5 mt -57.28 -27.14 61.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.52 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.528 ' CE1' ' HA ' ' A' ' 46' ' ' THR . 2.2 t80 -72.61 -43.17 63.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.125 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -59.48 -17.35 30.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.051 -179.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.18 -55.08 3.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.565 0.222 . . . . 0.0 110.973 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.409 ' C ' ' CG2' ' A' ' 46' ' ' THR . 5.7 m-85 -81.92 -45.97 14.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.147 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.528 ' HA ' ' CE1' ' A' ' 42' ' ' PHE . 1.0 OUTLIER 38.84 44.49 0.84 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.063 0.459 . . . . 0.0 111.408 179.592 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 p 49.67 66.22 1.19 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.708 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 45' ' ' PHE . 13.1 mmtp -49.39 -47.87 47.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.657 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.15 -84.73 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.225 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.3 p . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.543 -0.741 . . . . 0.0 110.442 -179.911 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 120.912 0.387 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -49.47 129.79 19.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.55 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -98.46 -16.77 30.9 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.481 -0.648 . . . . 0.0 111.481 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -116.21 75.74 0.98 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.753 0.311 . . . . 0.0 110.535 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -106.6 100.61 31.54 Favored Pre-proline 0 N--CA 1.453 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.484 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -83.74 11.24 3.37 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.738 2.292 . . . . 0.0 112.646 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.49 -24.12 12.19 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.674 0.274 . . . . 0.0 110.685 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.77 -35.81 57.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.573 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.37 -68.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.489 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.79 -40.1 62.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.497 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -60.86 -37.75 83.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.311 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -68.7 -37.08 79.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.129 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.15 -27.66 68.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.94 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 17' ' ' SER . 3.1 tp -63.78 -29.96 71.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.274 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -48.86 -25.8 2.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.791 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.43 16.56 6.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 14' ' ' LEU . 3.8 m -165.12 67.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.63 42.12 1.08 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.812 0.339 . . . . 0.0 111.276 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.6 t -95.52 23.42 6.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.454 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.422 ' O ' ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -90.21 2.22 55.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.072 -179.821 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -124.11 -15.74 6.71 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.413 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 13.5 mt -91.61 -41.8 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 26' ' ' TRP . . . -59.63 -60.21 9.16 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.422 ' CE2' ' O ' ' A' ' 20' ' ' GLU . 32.7 m-85 -51.19 -29.78 15.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.579 0.228 . . . . 0.0 110.929 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.741 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.37 -22.67 61.7 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.411 ' HB2' ' O ' ' A' ' 23' ' ' GLY . 5.9 m95 -81.43 -52.21 7.5 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.144 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 30' ' ' VAL . . . -52.22 -25.44 9.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.142 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.9 mmm -81.25 -37.97 27.69 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 25' ' ' ALA . 54.2 t -60.94 -30.42 47.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.014 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -75.31 -29.74 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.592 -179.85 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.7 t -82.57 -23.2 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.902 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.5 mt -88.79 -26.14 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.345 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 29' ' ' VAL . 25.5 t -78.25 -31.36 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.15 -52.46 3.42 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.696 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -49.9 -32.33 14.38 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.2 m -63.92 -41.2 97.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.473 -0.785 . . . . 0.0 108.997 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 58.5 mt -75.88 -26.05 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.901 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.71 -50.12 44.65 Favored Glycine 0 C--N 1.332 0.309 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.696 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.8 mt -68.94 -39.72 80.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.513 -0.343 . . . . 0.0 110.746 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.446 ' HE3' ' CA ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -60.81 -37.88 83.5 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 179.596 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 41' ' ' LEU . 12.9 mt -60.23 -32.83 71.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.239 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.466 ' CD1' ' C ' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -69.18 -56.27 8.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.006 0.431 . . . . 0.0 109.859 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.12 -27.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.983 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.27 -50.69 4.46 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.627 0.251 . . . . 0.0 111.251 -179.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.424 ' C ' ' CG2' ' A' ' 46' ' ' THR . 6.0 m-85 -71.61 -44.67 64.0 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -179.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.434 ' HA ' ' CD1' ' A' ' 42' ' ' PHE . 1.2 t 39.58 34.51 0.15 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.245 0.545 . . . . 0.0 111.329 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 49.24 53.82 12.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.83 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 45' ' ' PHE . 3.0 mtpm? -51.26 -47.36 62.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.277 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.98 160.5 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.025 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.543 -0.741 . . . . 0.0 110.499 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 176.92 110.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.295 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 104.9 -136.92 13.38 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.07 85.1 2.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.847 0.356 . . . . 0.0 110.119 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.1 t0 71.68 123.29 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.102 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -81.41 9.14 4.0 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.483 2.122 . . . . 0.0 112.791 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.42 ' HB1' ' HZ2' ' A' ' 8' ' ' LYS . . . -56.26 -58.08 9.48 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.72 0.295 . . . . 0.0 110.507 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.42 ' HZ2' ' HB1' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -103.07 -39.63 6.81 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.977 -179.567 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.66 -84.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.453 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.89 -29.58 1.44 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.283 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.411 ' HB2' ' O ' ' A' ' 7' ' ' ALA . 1.0 OUTLIER -67.61 -36.81 81.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.798 0.332 . . . . 0.0 110.613 -179.7 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -79.9 -36.38 36.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.151 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.21 -31.33 55.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.713 0.292 . . . . 0.0 110.626 -179.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -74.74 -30.7 61.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.7 -179.516 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -48.43 -31.83 6.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.71 15.41 8.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.323 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.02 69.05 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.97 28.54 2.39 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.869 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 66.9 p -94.84 0.8 55.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.039 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.485 ' O ' ' CE1' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -94.87 -8.95 35.75 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.684 0.278 . . . . 0.0 111.607 -179.736 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -102.38 -17.95 15.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.108 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.3 mm -77.12 -36.31 24.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.15 -10.51 59.56 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.485 ' CE1' ' O ' ' A' ' 20' ' ' GLU . 5.5 m-30 -67.81 -36.41 80.37 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.901 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -69.66 -25.07 63.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.085 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -67.41 -45.63 75.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.411 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.886 ' O ' HG12 ' A' ' 30' ' ' VAL . . . -63.17 -51.04 67.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.059 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -38.7 70.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 25' ' ' ALA . 23.7 t -53.09 -45.49 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.886 HG12 ' O ' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -54.63 -25.33 14.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.775 -179.675 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.9 t -88.45 -19.74 7.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.616 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 25.7 mt -83.94 -34.14 9.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.819 0.342 . . . . 0.0 110.389 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 29' ' ' VAL . 59.1 t -56.98 -30.86 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.559 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 37' ' ' ILE . . . -71.24 -54.76 8.54 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.462 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -47.48 -29.45 2.74 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.189 0.518 . . . . 0.0 109.987 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.5 m -70.7 -39.45 73.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.775 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' GLY . 37.9 mt -64.17 -32.46 57.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.228 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.43 -69.85 1.18 Allowed Glycine 0 C--N 1.33 0.195 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.462 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.5 mt -49.35 -43.38 16.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.444 -0.378 . . . . 0.0 110.722 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -52.59 63.94 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.903 0.382 . . . . 0.0 110.4 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.2 mt -58.54 -28.33 65.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.751 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.499 ' CD1' ' HA ' ' A' ' 46' ' ' THR . 2.2 t80 -67.62 -43.82 79.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -60.5 -16.1 33.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.559 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.97 -62.31 1.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.465 0.174 . . . . 0.0 110.555 -179.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.446 ' C ' HG22 ' A' ' 46' ' ' THR . 5.3 m-85 -83.15 -42.42 17.37 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 121.19 -0.204 . . . . 0.0 110.771 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.499 ' HA ' ' CD1' ' A' ' 42' ' ' PHE . 2.6 t 40.8 31.0 0.11 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.884 0.373 . . . . 0.0 111.208 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.2 t 65.03 53.28 1.4 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.492 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mmtm -46.22 -57.63 4.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.756 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 56.01 72.96 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.329 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.444 -0.789 . . . . 0.0 110.409 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 67.82 46.22 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.56 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 175.26 179.4 45.79 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -147.99 56.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.708 0.29 . . . . 0.0 110.356 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -179.81 99.92 0.19 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.491 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.52 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 46.5 Cg_endo -80.74 -21.39 7.15 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.633 2.222 . . . . 0.0 112.226 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . 73.13 4.37 4.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -122.22 -54.63 1.89 Allowed 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.05 -63.25 1.21 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.286 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.16 -53.78 51.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.204 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -52.28 -34.07 44.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.114 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -74.78 -37.62 62.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.132 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.08 -27.79 68.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.524 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.6 tp -72.66 -30.12 64.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.689 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -89.05 -47.05 8.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.27 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.636 ' HA ' HG22 ' A' ' 19' ' ' THR . . . -54.98 -22.33 14.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.888 0.375 . . . . 0.0 110.698 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.8 m -61.88 -51.08 69.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.103 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.71 -39.29 88.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.985 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.636 HG22 ' HA ' ' A' ' 16' ' ' ALA . 4.9 t -97.36 28.03 3.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.268 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -84.99 -22.68 29.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -89.29 -24.54 22.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.307 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.485 ' CD1' ' N ' ' A' ' 22' ' ' ILE . 1.1 mp -87.11 -44.0 16.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.256 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 26' ' ' TRP . . . -39.15 -33.5 0.27 Allowed Glycine 0 CA--C 1.527 0.841 0 CA-C-N 116.407 -0.36 . . . . 0.0 112.34 -179.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -57.07 -27.78 62.02 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 122.623 -0.339 . . . . 0.0 111.0 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.52 -5.65 41.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.603 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.441 ' O ' HG23 ' A' ' 30' ' ' VAL . 3.5 m95 -90.68 -51.58 5.31 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.775 0.321 . . . . 0.0 111.08 -179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -48.71 -26.62 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.701 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.8 mmt -77.37 -45.03 27.32 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.9 t -66.41 -26.39 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.336 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 26' ' ' TRP . 79.9 t -73.27 -33.28 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.253 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 27' ' ' ALA . 75.1 t -78.22 -21.82 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.78 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.8 mt -92.72 -39.2 11.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.578 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 51.6 t -83.41 -26.36 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.482 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.04 -48.21 82.25 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.66 -27.01 2.57 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.922 0.391 . . . . 0.0 110.221 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.8 m -83.32 -53.1 5.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.288 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 69.3 mt -53.83 -28.33 16.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.73 -51.36 55.54 Favored Glycine 0 C--N 1.33 0.206 0 N-CA-C 110.148 -1.181 . . . . 0.0 110.148 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.4 mt -69.41 -55.61 14.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.106 -0.547 . . . . 0.0 110.596 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.44 ' HE3' ' CA ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -47.65 -35.34 9.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.803 0.335 . . . . 0.0 110.358 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 41' ' ' LEU . 12.7 mt -61.0 -37.5 82.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.231 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.566 ' CZ ' HG21 ' A' ' 46' ' ' THR . 79.2 t80 -65.74 -53.57 38.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.733 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.51 -24.03 4.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.377 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -89.78 -69.37 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.345 -179.502 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.443 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 13.2 m-85 -46.74 -27.26 1.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.618 -179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.566 HG21 ' CZ ' ' A' ' 42' ' ' PHE . 52.4 p -88.38 -21.57 24.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.976 -178.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 m -87.36 -27.03 23.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.736 0.303 . . . . 0.0 110.546 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.53 -59.49 2.69 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.103 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 54.73 72.83 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.89 0.376 . . . . 0.0 110.241 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.438 -0.792 . . . . 0.0 110.358 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 57.99 76.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.298 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 170.64 120.07 0.53 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -122.88 -73.18 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.493 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -54.87 107.08 0.77 Allowed Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.668 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.699 ' CG ' ' HB3' ' A' ' 10' ' ' ALA . 43.2 Cg_endo -85.97 -41.68 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.824 2.349 . . . . 0.0 112.244 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . 84.06 -46.73 0.11 Allowed 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 122.914 0.486 . . . . 0.0 111.213 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.57 -54.62 0.78 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.592 -179.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -37.75 -82.55 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.924 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.699 ' HB3' ' CG ' ' A' ' 6' ' ' PRO . . . -46.83 -49.56 19.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.24 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -49.95 -43.2 49.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.237 -179.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -71.69 -24.17 61.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.722 0.296 . . . . 0.0 111.091 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.422 ' OG ' ' HA ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -70.25 -8.4 49.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.779 -179.496 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.42 HD22 ' N ' ' A' ' 14' ' ' LEU . 4.0 mm? -97.3 -52.75 3.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.419 0.628 . . . . 0.0 109.723 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -43.21 -45.21 5.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.084 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.74 25.55 5.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.172 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 18' ' ' ALA . 9.0 p -141.91 -58.05 0.47 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.89 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.41 ' N ' ' OG ' ' A' ' 17' ' ' SER . . . -87.09 55.36 3.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.805 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.5 t -98.47 16.47 21.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.021 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.43 -16.43 23.42 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.779 0.323 . . . . 0.0 111.072 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -110.0 -19.39 13.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.314 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 mt -91.47 77.7 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.042 0.449 . . . . 0.0 109.802 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -172.64 -55.83 0.05 OUTLIER Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -59.0 -23.58 62.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.738 0.304 . . . . 0.0 110.664 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.826 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -76.78 -10.4 59.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.385 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -79.46 -48.48 13.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.762 0.315 . . . . 0.0 110.623 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.22 -51.6 57.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.472 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -45.39 76.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.585 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.826 HG23 ' O ' ' A' ' 25' ' ' ALA . 69.5 t -53.92 -36.76 31.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.411 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.2 -24.58 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.476 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 75.2 t -85.92 -27.06 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-O 121.009 0.433 . . . . 0.0 110.25 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.3 mt -89.62 -20.31 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.702 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 37' ' ' ILE . 1.7 t -55.53 -49.46 73.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.139 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.39 -60.89 5.5 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.792 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -46.87 -28.27 1.52 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.025 0.44 . . . . 0.0 110.172 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.9 m -71.54 -45.91 61.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.057 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 33' ' ' VAL . 61.3 mt -56.12 -46.53 81.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.259 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.16 -72.01 0.55 Allowed Glycine 0 CA--C 1.518 0.223 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.792 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.1 mt -48.05 -41.21 9.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.704 -0.248 . . . . 0.0 110.908 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -49.71 74.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.017 0.437 . . . . 0.0 110.446 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 41' ' ' LEU . 20.9 mt -54.74 -28.23 46.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.773 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.454 ' O ' HG23 ' A' ' 46' ' ' THR . 4.6 t80 -73.79 -54.34 8.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.277 -179.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.95 -19.52 4.76 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.76 -60.28 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.166 -179.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -61.52 -27.01 68.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.635 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 42' ' ' PHE . 30.6 p -91.8 5.86 48.27 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.375 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.4 t -88.87 -31.28 18.34 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.672 0.272 . . . . 0.0 110.564 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 50' ' ' SER . 38.5 mtmt -43.06 -59.75 1.91 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.144 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 53.27 -87.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.598 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 48' ' ' LYS . 12.6 t . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.531 -0.747 . . . . 0.0 110.424 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.404 ' O ' ' HG3' ' A' ' 2' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 1' ' ' ALA . 15.1 pt-20 40.98 95.1 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.19 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 63.17 136.21 0.01 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -161.01 86.19 0.7 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.793 0.33 . . . . 0.0 110.468 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -173.0 77.08 0.41 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.52 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -85.61 -24.88 1.75 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.006 2.47 . . . . 0.0 112.192 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 9' ' ' ALA . . . 60.98 33.8 19.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.259 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 31.97 37.42 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.668 0.747 . . . . 0.0 112.561 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 7' ' ' ALA . . . -89.48 -65.86 0.98 Allowed 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.802 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' HA ' ' OG ' ' A' ' 13' ' ' SER . . . -63.82 -47.13 82.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.794 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -48.9 -41.94 35.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.6 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -71.15 -46.05 62.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.266 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.401 ' OG ' ' HA ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -52.27 -33.45 41.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.273 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.2 tp -63.75 -33.93 76.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.031 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -63.73 -36.3 83.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.541 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.07 22.81 8.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.756 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.0 p -104.3 -42.05 5.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.865 0.364 . . . . 0.0 110.596 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.67 -20.71 25.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.8 p -99.87 22.08 11.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.706 0.289 . . . . 0.0 110.88 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -90.64 -15.72 29.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 0.0 111.253 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -104.5 -21.99 13.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.176 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 22' ' ' ILE . 8.3 mm -83.8 -8.56 11.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.53 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 26' ' ' TRP . . . -70.07 -25.64 75.34 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -56.79 -25.21 55.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.897 0.379 . . . . 0.0 110.085 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.22 -18.4 32.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.691 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.429 ' HB2' ' O ' ' A' ' 23' ' ' GLY . 1.3 m95 -65.59 -30.43 71.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.809 0.338 . . . . 0.0 110.434 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.443 ' O ' HG12 ' A' ' 30' ' ' VAL . . . -50.08 -51.24 44.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.544 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.67 -50.7 42.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.884 0.373 . . . . 0.0 110.12 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.2 t -62.16 -38.11 80.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.51 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.443 HG12 ' O ' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -61.69 -32.86 55.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.941 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 27' ' ' ALA . 95.9 t -73.58 -13.77 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.925 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 67.6 mt -94.76 -39.52 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.793 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.409 ' O ' ' HB ' ' A' ' 36' ' ' THR . 13.1 t -88.09 -35.66 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.4 -40.6 97.8 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.879 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -51.49 -31.56 24.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.004 0.431 . . . . 0.0 110.113 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 4.6 m -75.07 -44.8 45.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.969 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.6 mt -63.12 -38.25 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.103 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.83 -65.67 3.36 Favored Glycine 0 C--N 1.329 0.15 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.879 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.3 mt -56.04 -43.75 76.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.593 -0.303 . . . . 0.0 110.789 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.59 -36.45 64.43 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.736 0.303 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.458 ' HA ' HD23 ' A' ' 41' ' ' LEU . 15.7 mt -66.6 -44.67 81.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.656 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.505 ' CD1' ' HA ' ' A' ' 46' ' ' THR . 2.2 t80 -53.11 -49.53 66.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.844 0.354 . . . . 0.0 110.628 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.92 -22.45 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.555 -179.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.463 ' HE3' ' HA ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -95.48 -74.12 0.56 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.518 0.199 . . . . 0.0 110.51 -179.648 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.438 ' C ' HG22 ' A' ' 46' ' ' THR . 5.8 m-85 -69.57 -38.87 77.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.832 -0.167 . . . . 0.0 110.949 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.505 ' HA ' ' CD1' ' A' ' 42' ' ' PHE . 2.2 t 42.91 41.6 2.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.814 0.34 . . . . 0.0 111.577 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 69.59 15.64 8.16 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.893 178.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.417 ' HG2' HG23 ' A' ' 46' ' ' THR . 3.7 mmtm -51.38 -53.14 39.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.884 0.373 . . . . 0.0 110.389 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.64 60.61 1.01 Allowed 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.61 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.306 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 120.788 0.328 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.51 121.42 4.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.701 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -120.16 21.41 8.81 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.36 -36.77 74.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.802 0.334 . . . . 0.0 110.382 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.8 t0 61.31 120.96 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.322 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.448 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 48.9 Cg_endo -82.31 9.54 3.95 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.547 2.164 . . . . 0.0 112.707 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.62 -66.24 0.56 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.816 0.341 . . . . 0.0 110.434 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -58.54 -27.71 64.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.65 -179.832 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.463 ' N ' ' HG3' ' A' ' 8' ' ' LYS . . . -51.16 -53.39 35.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.5 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.17 -47.08 78.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.366 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.62 -34.38 78.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.229 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -77.68 -31.22 52.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.293 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.53 -28.83 69.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.014 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -68.18 -26.44 65.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.205 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -86.78 -36.09 18.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.683 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.12 16.77 9.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.234 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.7 t -94.84 10.51 35.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.774 -0.194 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.661 ' O ' HD13 ' A' ' 22' ' ' ILE . . . -100.42 38.98 1.41 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.826 0.346 . . . . 0.0 110.614 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.8 p -87.77 -8.9 55.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.225 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -92.8 -10.87 35.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.747 0.308 . . . . 0.0 111.768 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -92.09 -15.29 27.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.16 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.661 HD13 ' O ' ' A' ' 18' ' ' ALA . 1.1 mp -89.33 -46.65 15.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.057 -178.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -42.11 -32.32 1.04 Allowed Glycine 0 CA--C 1.528 0.86 0 N-CA-C 112.334 -0.306 . . . . 0.0 112.334 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -71.94 -34.97 69.46 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.659 -0.318 . . . . 0.0 110.95 -179.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.97 -19.65 19.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -77.91 -48.56 16.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.665 0.269 . . . . 0.0 110.836 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.54 -52.95 63.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.345 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -35.18 59.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.059 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.478 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -54.82 -49.2 71.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.7 t -56.51 -48.28 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.614 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.9 t -58.56 -19.13 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.967 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.8 mt -95.76 -44.1 12.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.459 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 29' ' ' VAL . 95.1 t -63.24 -28.02 44.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-O 120.792 0.33 . . . . 0.0 110.42 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.59 -52.9 6.92 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.416 ' O ' HG12 ' A' ' 39' ' ' ILE . . . -47.93 -30.3 4.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.087 0.47 . . . . 0.0 109.847 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.7 m -65.36 -47.37 76.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.606 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.1 mm -55.33 -21.53 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.874 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.23 -21.86 50.44 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.439 HD13 ' N ' ' A' ' 39' ' ' ILE . 1.8 mm -91.62 -35.71 7.26 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.351 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -45.75 90.96 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.774 179.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.1 mt -56.76 -25.34 54.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.266 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -86.63 -38.86 16.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.411 ' HA ' ' OG1' ' A' ' 46' ' ' THR . 2.7 mmtp -67.97 -48.07 66.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.805 0.336 . . . . 0.0 110.855 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.458 ' HE2' ' N ' ' A' ' 45' ' ' PHE . 1.2 tmmm? -44.26 -51.7 8.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.913 -179.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.458 ' N ' ' HE2' ' A' ' 44' ' ' LYS . 9.7 m-85 -69.52 -40.16 77.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.878 0.37 . . . . 0.0 110.468 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 43' ' ' LYS . 69.6 p -89.87 58.85 4.37 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.993 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 49' ' ' ALA . 5.1 p -161.78 -52.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.021 -179.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -64.34 69.54 0.03 OUTLIER 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 121.46 0.647 . . . . 0.0 111.152 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 47' ' ' SER . . . -171.81 143.13 1.61 Allowed 'General case' 0 C--N 1.302 -1.489 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.543 178.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.458 -0.782 . . . . 0.0 110.477 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -49.39 156.28 0.63 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.584 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 53.63 177.81 0.1 OUTLIER Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -75.18 -57.98 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.022 0.439 . . . . 0.0 110.203 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.8 t70 58.54 97.96 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.379 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -84.64 8.79 4.43 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.814 2.343 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.65 -67.3 0.77 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.841 0.353 . . . . 0.0 110.114 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.01 -29.99 69.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.332 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.02 -65.7 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.885 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.15 -39.03 19.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.615 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -68.4 -37.46 80.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.375 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -77.35 -48.58 16.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.712 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 17' ' ' SER . 0.5 OUTLIER -62.67 -31.07 71.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.507 -179.761 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.571 HD22 ' O ' ' A' ' 14' ' ' LEU . 1.4 tm? -52.14 -40.75 61.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.093 0.473 . . . . 0.0 110.139 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -72.61 -36.0 67.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.395 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -105.54 24.48 12.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.714 0.292 . . . . 0.0 111.23 -179.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 13' ' ' SER . 10.1 t -112.39 -38.68 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.89 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.91 -23.19 59.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.115 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.1 p -100.46 24.99 8.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.57 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.407 ' OE1' ' CA ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -86.77 -13.1 46.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.347 -179.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -108.1 -18.96 13.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.274 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.0 mt -91.25 78.24 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.101 0.477 . . . . 0.0 109.768 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.67 -49.75 0.18 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -78.59 -24.46 45.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.693 0.282 . . . . 0.0 110.607 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.18 -24.66 60.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.515 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.477 ' O ' HG23 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -69.67 -40.03 76.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.346 -179.811 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.76 -46.16 70.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.307 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 ttp -58.72 -46.41 87.4 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 120.945 0.402 . . . . 0.0 110.305 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.5 t -55.71 -39.76 57.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.974 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 26' ' ' TRP . 91.4 t -64.58 -27.35 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.073 179.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.2 t -79.1 -27.4 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.284 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.2 mt -75.0 -22.47 17.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.915 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.528 ' O ' HG22 ' A' ' 36' ' ' THR . 18.0 t -68.02 -56.9 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.65 -27.14 5.88 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.5 -28.68 69.82 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.528 HG22 ' O ' ' A' ' 33' ' ' VAL . 0.9 OUTLIER -67.68 -42.12 82.6 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.552 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.7 mm -58.66 -25.52 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.404 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.02 -61.8 3.84 Favored Glycine 0 C--N 1.33 0.246 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.4 mt -58.97 -39.52 78.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.575 -0.313 . . . . 0.0 110.287 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.459 ' HE3' ' N ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -57.42 -47.8 80.81 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.453 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.9 mt -63.08 -39.23 94.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.644 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -54.03 -35.05 61.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.04 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -74.12 -56.92 4.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.427 -178.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.4 ' HE2' ' HB3' ' A' ' 44' ' ' LYS . 4.7 tmmm? -47.48 -53.82 13.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.375 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -50.7 -41.32 55.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.607 0.242 . . . . 0.0 110.663 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.4 p -84.99 -10.96 56.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.375 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 m -126.58 33.3 5.01 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.626 0.25 . . . . 0.0 110.646 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.594 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 5.5 mttm -46.33 -67.1 0.31 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.997 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 164.74 160.27 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.256 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.6 p . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.478 -0.772 . . . . 0.0 110.41 -179.93 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 120.847 0.356 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 53.83 95.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.413 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 160.25 110.28 0.26 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.19 -76.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.194 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.406 ' OD1' ' HB2' ' A' ' 9' ' ' ALA . 5.3 t0 -176.93 75.05 0.24 Allowed Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.505 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -90.27 13.04 2.34 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.175 2.583 . . . . 0.0 112.517 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -96.96 49.63 1.08 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.628 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.4 ' NZ ' ' HB2' ' A' ' 8' ' ' LYS . 3.2 mtmm 34.52 74.83 0.06 Allowed 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.31 0.644 . . . . 0.0 111.945 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.406 ' HB2' ' OD1' ' A' ' 5' ' ' ASP . . . -87.97 -60.96 1.83 Allowed 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.544 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.78 -41.65 74.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.659 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.16 -33.49 70.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.39 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -85.28 -24.87 27.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.537 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.57 -28.9 23.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.401 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.4 tp -64.21 -40.29 95.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.757 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.405 ' HG3' HD12 ' A' ' 22' ' ' ILE . 45.9 tt0 -70.6 -46.29 63.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.532 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.03 -23.58 7.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.623 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.6 m -96.59 -49.63 5.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.143 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.7 50.48 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.224 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 t -91.01 21.4 4.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.999 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.11 -18.02 24.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 111.05 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -111.25 -21.86 11.67 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.326 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.405 HD12 ' HG3' ' A' ' 15' ' ' GLN . 3.5 mt -92.41 67.69 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.144 0 CA-C-O 121.007 0.432 . . . . 0.0 110.213 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -173.22 -56.39 0.05 OUTLIER Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -75.99 -25.79 56.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 0.0 110.548 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.909 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -67.05 -23.84 65.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.507 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -73.54 -50.56 20.74 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.216 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.679 ' O ' HG12 ' A' ' 30' ' ' VAL . . . -52.59 -33.94 48.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.182 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.5 tpp -75.61 -45.18 38.99 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.216 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 25' ' ' ALA . 87.8 t -57.93 -48.79 83.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.132 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.679 HG12 ' O ' ' A' ' 27' ' ' ALA . 0.8 OUTLIER -49.36 -34.11 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.454 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -74.5 -23.83 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.428 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 29' ' ' VAL . 57.3 mt -90.7 -45.49 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.325 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.765 ' O ' HG22 ' A' ' 36' ' ' THR . 51.7 t -71.13 -41.95 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.68 -29.97 26.8 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.35 -28.32 69.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 33' ' ' VAL . 1.1 t -72.7 -33.4 66.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.112 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 23.7 mt -63.58 -28.56 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.846 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.73 -30.36 64.01 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.427 HD13 ' N ' ' A' ' 39' ' ' ILE . 2.2 mm -91.09 -40.31 12.47 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -43.21 94.59 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.901 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.459 ' HA ' HD23 ' A' ' 41' ' ' LEU . 17.9 mt -60.84 -41.34 95.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.928 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.83 ' CZ ' HG21 ' A' ' 46' ' ' THR . 87.2 t80 -59.07 -49.25 78.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.499 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -18.59 13.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.84 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -93.16 -52.03 4.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.823 0.344 . . . . 0.0 110.654 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -65.12 -29.02 69.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.455 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.83 HG21 ' CZ ' ' A' ' 42' ' ' PHE . 36.3 p -90.45 -4.24 57.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.644 -179.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.67 -48.75 6.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.733 0.301 . . . . 0.0 110.306 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -52.01 -37.35 53.03 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-O 121.277 0.56 . . . . 0.0 110.731 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.454 ' N ' ' HD2' ' A' ' 48' ' ' LYS . . . -49.76 161.39 0.24 Allowed 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.389 -177.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.429 -0.796 . . . . 0.0 110.224 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 120.531 0.205 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -44.03 106.38 0.07 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.818 0.342 . . . . 0.0 110.845 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -169.31 116.54 0.66 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -119.12 64.61 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.716 0.293 . . . . 0.0 110.392 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -176.18 142.32 0.6 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.371 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -84.57 15.15 2.26 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.944 2.429 . . . . 0.0 112.816 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -44.63 -28.35 0.59 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.666 0.269 . . . . 0.0 111.069 -179.791 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.418 ' NZ ' ' HB3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -48.89 -31.67 7.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.581 179.915 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.02 -30.78 62.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.317 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.27 -47.58 19.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.344 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -52.86 -43.4 66.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.259 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -71.96 -24.09 61.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.443 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.6 -30.64 52.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.205 179.866 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.7 tp -71.58 -39.66 70.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.976 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.03 -22.96 63.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.331 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.672 ' O ' HD11 ' A' ' 22' ' ' ILE . . . -77.21 2.39 15.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.563 -179.842 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.2 p -93.5 28.94 2.11 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.806 0.336 . . . . 0.0 110.595 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.03 72.92 1.5 Allowed 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.535 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.6 m -48.5 -25.29 1.61 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.259 -179.292 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -75.07 -11.77 60.17 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.82 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.439 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 39.0 m-85 -117.62 -6.79 11.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.904 -179.434 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.672 HD11 ' O ' ' A' ' 16' ' ' ALA . 4.9 mt -90.29 79.12 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.487 0 CA-C-O 121.508 0.67 . . . . 0.0 109.728 179.806 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.553 ' N ' ' HB3' ' A' ' 26' ' ' TRP . . . 178.03 -52.91 0.1 OUTLIER Glycine 0 C--N 1.313 -0.74 0 N-CA-C 110.093 -1.203 . . . . 0.0 110.093 179.704 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -89.09 -35.88 16.06 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.391 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 21' ' ' TYR . . . -90.49 -10.09 44.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.485 177.532 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.553 ' HB3' ' N ' ' A' ' 23' ' ' GLY . 4.1 t-105 -90.54 -43.59 10.12 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 123.115 0.566 . . . . 0.0 109.927 -179.71 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.43 -43.55 80.9 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.279 -179.491 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -36.47 82.44 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.662 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 t -51.93 -43.81 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.79 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.1 t -59.16 -25.75 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.389 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 80.5 t -84.92 -14.64 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 39.0 mt -85.19 -42.15 16.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.766 0.317 . . . . 0.0 110.358 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.676 ' O ' HG22 ' A' ' 36' ' ' THR . 53.4 t -77.56 -36.81 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 179.543 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.09 -29.46 36.04 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 179.505 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.92 -28.25 68.79 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.513 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.676 HG22 ' O ' ' A' ' 33' ' ' VAL . 1.0 OUTLIER -70.79 -35.71 72.68 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.888 179.624 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.6 mt -62.34 -26.58 40.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.122 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.78 -30.37 61.8 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.43 HD13 ' N ' ' A' ' 39' ' ' ILE . 2.2 mm -91.35 -41.87 13.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.442 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -42.14 84.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.803 179.694 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' A' ' 41' ' ' LEU . 15.1 mt -63.96 -41.76 97.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.268 179.529 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -59.26 -31.42 69.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.99 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -81.97 -2.19 50.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.719 -179.068 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.42 -53.34 2.67 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.819 0.342 . . . . 0.0 110.865 -179.436 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -57.52 -35.08 69.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.579 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.2 p -85.74 8.82 18.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.265 -179.362 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 t -87.63 -36.81 17.26 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.929 0.395 . . . . 0.0 110.034 179.5 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -47.51 -56.53 6.87 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 56.57 -176.67 0.05 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.441 -179.467 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.514 -0.755 . . . . 0.0 110.29 -179.841 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 172.3 125.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.361 179.854 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.93 149.49 2.01 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.92 82.26 1.8 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.841 0.353 . . . . 0.0 110.221 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -155.86 71.3 5.29 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.498 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -83.57 -16.53 6.74 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.755 2.303 . . . . 0.0 112.31 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.53 -19.2 46.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.996 -179.817 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -43.42 -29.51 0.45 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.786 0.327 . . . . 0.0 111.273 -179.703 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.48 ' N ' ' HG3' ' A' ' 8' ' ' LYS . . . -75.88 -70.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.447 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -50.64 -24.6 3.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.981 -179.753 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.72 -39.55 44.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.725 0.298 . . . . 0.0 110.734 -179.719 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -83.73 -50.52 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.713 -179.774 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.85 -31.6 66.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.763 -179.755 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 62.3 tp -72.84 -41.11 65.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.725 -179.542 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -78.37 -38.12 42.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.514 -179.776 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.51 -0.53 29.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.257 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.6 t -78.96 -76.41 0.2 Allowed 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.782 0.325 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.69 -19.35 65.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.625 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.459 HG22 ' HB ' ' A' ' 22' ' ' ILE . 11.4 m -95.48 35.09 1.37 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.997 0.427 . . . . 0.0 110.055 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.09 -5.75 59.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.781 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -99.52 -21.44 15.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.82 0.343 . . . . 0.0 110.39 179.648 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.53 HG22 ' HB2' ' A' ' 26' ' ' TRP . 8.8 mm -85.67 -42.85 16.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.77 -179.622 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -43.64 -43.67 6.52 Favored Glycine 0 C--O 1.225 -0.448 0 CA-C-O 120.075 -0.292 . . . . 0.0 113.452 -178.794 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -55.0 -43.63 73.79 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 118.003 0.901 . . . . 0.0 110.44 -178.822 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.74 -13.97 28.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.735 0.303 . . . . 0.0 110.59 178.789 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.53 ' HB2' HG22 ' A' ' 22' ' ' ILE . 6.6 t-105 -90.94 -23.93 20.3 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 122.855 0.462 . . . . 0.0 111.254 -178.358 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 23' ' ' GLY . . . -86.76 -53.18 5.07 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.641 -179.289 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -30.04 4.45 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.782 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 t -69.76 -43.06 80.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.261 179.33 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 26' ' ' TRP . 92.2 t -67.04 -46.74 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.502 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.4 t -52.88 -28.86 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-O 121.036 0.446 . . . . 0.0 110.241 179.827 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.8 mt -74.61 -29.62 23.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.656 179.668 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.9 t -82.65 -26.26 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.362 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.93 -34.97 83.53 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 109.922 -1.271 . . . . 0.0 109.922 179.425 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.406 ' O ' HG12 ' A' ' 39' ' ' ILE . . . -55.41 -33.82 63.87 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.213 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.1 m -67.62 -43.16 81.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.373 179.379 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.8 mt -62.18 -23.68 32.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 179.135 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.38 -25.57 65.52 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.661 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.434 HD13 ' N ' ' A' ' 39' ' ' ILE . 2.5 mm -90.93 -41.07 13.12 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.442 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -47.86 84.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.336 179.38 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 41' ' ' LEU . 39.1 mt -63.98 -43.16 96.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.821 179.063 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.574 ' O ' HG23 ' A' ' 46' ' ' THR . 64.1 t80 -49.62 -44.61 47.46 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.506 179.765 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -65.33 -19.0 65.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.133 -179.455 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -54.47 4.46 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-O 120.771 0.319 . . . . 0.0 110.547 -179.864 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -60.23 -27.04 66.88 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.357 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 42' ' ' PHE . 46.5 p -92.69 18.46 8.75 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.388 179.475 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.6 t -172.11 51.32 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.627 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 50' ' ' SER . 16.6 mttt -47.64 -46.32 28.67 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.967 -178.479 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.65 92.91 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.021 -179.778 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.459 -0.781 . . . . 0.0 110.476 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 120.826 0.346 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 52.24 45.82 27.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.289 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.69 142.47 48.19 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -163.72 86.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 110.308 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.9 t70 58.45 91.11 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.13 -179.847 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -87.17 12.45 2.96 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.888 2.392 . . . . 0.0 112.405 -179.739 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.24 43.75 1.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.776 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.437 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 2.7 mmmm 28.46 63.23 0.12 Allowed 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 123.771 0.828 . . . . 0.0 112.517 179.727 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.33 -85.7 0.4 Allowed 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.409 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.61 -33.99 61.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.766 0.317 . . . . 0.0 110.463 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.35 -30.44 70.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.412 -179.809 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -92.61 -46.71 7.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.576 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.01 -37.92 89.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.473 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.1 tp -51.49 -43.09 62.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.282 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -52.09 -45.16 64.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.195 -179.646 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.24 19.73 7.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.882 -179.863 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 m -149.53 62.53 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.473 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.57 -53.27 10.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.454 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 t -91.42 17.85 7.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.074 -179.834 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.5 -4.75 57.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.666 0.269 . . . . 0.0 110.534 179.188 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -108.04 -19.88 13.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.94 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.617 HG22 ' O ' ' A' ' 22' ' ' ILE . 7.8 mm -85.11 5.67 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-O 121.09 0.471 . . . . 0.0 110.311 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.471 ' O ' ' CD1' ' A' ' 24' ' ' TYR . . . -105.5 -0.41 40.25 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 120.98 -0.628 . . . . 0.0 111.852 179.76 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 23' ' ' GLY . 3.8 m-85 -140.36 -44.79 0.41 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 117.346 0.573 . . . . 0.0 111.071 -179.617 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.22 -5.29 53.96 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.858 0.361 . . . . 0.0 110.037 178.619 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.483 ' HB3' ' O ' ' A' ' 22' ' ' ILE . 1.4 t-105 -90.89 -52.84 4.66 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.168 -179.753 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.28 -52.9 62.79 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.14 -179.327 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -33.07 39.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.729 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.538 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.9 OUTLIER -65.8 -37.17 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.637 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.3 t -64.1 -28.63 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.23 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.2 t -77.79 -26.09 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-O 120.992 0.425 . . . . 0.0 110.401 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.5 mt -85.36 -26.18 6.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.144 179.776 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 29' ' ' VAL . 48.5 t -75.62 -30.15 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.06 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.05 -58.89 4.52 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.63 -28.45 3.51 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.256 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.4 m -67.9 -41.68 82.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.548 179.032 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 52.2 mt -59.7 -30.67 45.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.793 179.651 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.54 -67.37 2.04 Favored Glycine 0 N--CA 1.458 0.164 0 N-CA-C 110.734 -0.947 . . . . 0.0 110.734 179.741 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.3 mt -52.08 -39.32 26.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.69 -0.255 . . . . 0.0 110.467 -179.747 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -46.32 82.46 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.785 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' A' ' 41' ' ' LEU . 17.6 mt -54.47 -32.31 57.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.921 179.693 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.581 ' O ' HG23 ' A' ' 46' ' ' THR . 16.0 t80 -68.08 -53.53 24.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.622 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -15.04 56.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.071 -179.409 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.17 -35.2 15.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.701 0.286 . . . . 0.0 110.606 -179.282 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -85.09 -26.67 26.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.81 0.338 . . . . 0.0 110.525 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 42' ' ' PHE . 42.9 p -90.27 -16.06 30.06 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 -179.245 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.4 m -88.14 -17.41 31.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.553 0.216 . . . . 0.0 110.688 179.731 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 50' ' ' SER . 13.8 mmtt -43.13 -59.87 1.88 Allowed 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.023 -179.782 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 53.6 -87.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.691 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 48' ' ' LYS . 6.9 t . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.516 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 120.768 0.318 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -48.26 122.13 5.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.571 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 69.45 112.0 0.03 OUTLIER Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 -179.8 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -114.41 79.07 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.508 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.2 t0 57.05 95.2 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.548 179.847 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.988 ' HG3' ' HB3' ' A' ' 10' ' ' ALA . 41.2 Cg_endo -86.2 -43.65 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.934 2.422 . . . . 0.0 112.243 179.703 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . 82.63 -46.52 0.16 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 122.895 0.478 . . . . 0.0 111.381 179.316 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -120.97 -66.77 1.02 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.648 0.261 . . . . 0.0 111.467 -178.905 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -43.25 -89.08 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.686 -179.001 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.988 ' HB3' ' HG3' ' A' ' 6' ' ' PRO . . . -61.02 -25.33 66.83 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.665 0.269 . . . . 0.0 110.885 -179.303 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.405 ' O ' ' HB2' ' A' ' 15' ' ' GLN . 2.7 t80 -67.48 -27.83 67.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.852 0.358 . . . . 0.0 110.159 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 24.4 t-20 -86.77 -32.36 20.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.476 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.74 -36.93 19.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.594 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.4 tp -78.0 -39.35 42.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.753 -179.403 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.405 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 28.9 tt0 -61.19 -36.88 81.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.933 0.397 . . . . 0.0 110.391 -179.773 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.87 16.6 9.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.05 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.1 m -146.74 28.63 1.04 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.754 0.312 . . . . 0.0 110.427 -179.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -99.38 -56.14 2.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.5 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.8 p -99.84 4.95 45.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.081 -179.866 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.94 -8.59 53.88 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.599 0.237 . . . . 0.0 111.026 179.888 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.461 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 29.0 m-85 -111.23 -13.23 14.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.305 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.621 HG22 ' O ' ' A' ' 22' ' ' ILE . 8.2 mt -88.7 3.02 5.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-O 120.985 0.421 . . . . 0.0 110.643 179.748 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' O ' ' CD1' ' A' ' 24' ' ' TYR . . . -105.9 -2.22 39.52 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.785 179.843 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.475 ' CD1' ' O ' ' A' ' 23' ' ' GLY . 1.3 m-85 -142.17 -45.73 0.34 Allowed 'General case' 0 C--O 1.231 0.093 0 CA-C-N 117.294 0.547 . . . . 0.0 110.55 -179.792 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 21' ' ' TYR . . . -75.86 -7.19 53.91 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 178.226 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.467 ' HB3' ' O ' ' A' ' 22' ' ' ILE . 1.3 t-105 -90.87 -57.63 2.75 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.087 -179.79 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.81 -46.79 77.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.522 -179.235 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.7 tpp -56.91 -33.55 67.06 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.323 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 30' ' ' VAL . 0.7 OUTLIER -58.6 -52.35 60.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.86 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.439 ' N ' HG12 ' A' ' 29' ' ' VAL . 59.2 t -51.84 -31.77 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.642 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.9 t -76.18 -19.03 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.802 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -88.78 -28.83 5.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.44 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.0 t -81.17 -29.39 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.67 -49.86 4.68 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.72 -29.75 4.8 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.442 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.0 m -69.13 -45.72 69.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.448 179.14 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.2 mt -57.72 -36.5 55.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.378 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.09 -21.31 61.4 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 179.318 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.416 HD13 ' N ' ' A' ' 39' ' ' ILE . 2.7 mm -90.84 -49.25 13.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.561 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.485 ' CA ' ' HE2' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -53.06 -41.85 65.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.917 179.549 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 41' ' ' LEU . 60.1 mt -62.02 -42.11 98.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.267 179.671 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -59.67 -45.49 91.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.656 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.463 ' HA ' ' OG1' ' A' ' 46' ' ' THR . 0.1 OUTLIER -56.89 -39.11 73.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.749 -179.437 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -49.37 -70.37 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.75 0.31 . . . . 0.0 110.709 -179.192 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.461 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 64.9 m-85 -60.73 -33.43 72.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.535 -179.02 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.463 ' OG1' ' HA ' ' A' ' 43' ' ' LYS . 71.8 p -85.71 3.34 41.6 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -179.023 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 71.4 p -126.57 19.58 7.34 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.502 0.192 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -54.2 -50.33 67.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.9 0.381 . . . . 0.0 110.22 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.75 -71.58 0.08 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.003 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.7 m . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.47 -0.776 . . . . 0.0 110.429 -179.994 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 56.1 177.53 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.417 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 67.07 136.06 0.04 OUTLIER Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.928 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.66 -38.82 53.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 110.446 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.9 t0 178.59 85.9 0.16 Allowed Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.429 -179.892 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -81.77 -36.18 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.699 2.266 . . . . 0.0 112.13 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 48.73 38.22 11.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.699 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm 34.49 75.74 0.05 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.339 0.656 . . . . 0.0 112.025 179.18 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.15 -73.21 0.39 Allowed 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.68 -179.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.13 -53.56 33.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.506 -179.758 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.23 -52.58 34.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.213 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -65.23 -33.62 76.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.911 179.675 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.39 -40.33 90.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.084 179.766 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.1 tp -54.6 -37.05 65.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.524 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -65.11 -28.3 69.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.599 -179.834 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.71 -7.71 41.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.419 -179.738 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.55 -23.67 17.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.664 0.269 . . . . 0.0 110.718 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -99.71 39.57 1.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.925 0.393 . . . . 0.0 110.658 -179.82 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.8 p -96.61 23.64 6.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.565 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -99.69 -17.23 17.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.083 -179.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -101.52 -20.42 15.1 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.972 -179.706 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.518 ' O ' ' HB3' ' A' ' 26' ' ' TRP . 8.0 mm -80.69 -48.77 19.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 110.519 -0.178 . . . . 0.0 110.519 -179.594 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -37.7 -28.65 0.04 OUTLIER Glycine 0 CA--C 1.529 0.953 0 CA-C-O 120.298 -0.168 . . . . 0.0 113.11 -178.864 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' A' ' 22' ' ' ILE . 7.5 m-85 -107.2 -35.59 6.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 117.232 0.516 . . . . 0.0 111.476 -178.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.81 -12.85 59.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.1 -179.809 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.518 ' HB3' ' O ' ' A' ' 22' ' ' ILE . 0.8 OUTLIER -90.85 -64.1 1.18 Allowed 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.691 0.282 . . . . 0.0 110.683 -179.744 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.413 ' N ' ' CG ' ' A' ' 26' ' ' TRP . . . -48.49 -48.8 37.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.819 -179.02 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -43.63 85.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.05 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 t -54.9 -51.08 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.996 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 63.8 t -49.95 -32.33 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.863 -179.776 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 35' ' ' ALA . 92.3 t -81.53 -17.59 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -179.915 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 52.3 mt -100.41 -45.75 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.098 -179.615 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.9 t -72.8 -68.08 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.857 -179.031 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.38 -26.98 38.98 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.546 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.794 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -72.78 -22.14 60.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.55 0.214 . . . . 0.0 110.721 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.475 ' CG2' ' N ' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -82.94 -51.93 7.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.973 0.416 . . . . 0.0 110.14 -179.888 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.475 ' N ' ' CG2' ' A' ' 36' ' ' THR . 6.0 mt -51.38 -34.23 14.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.416 -179.7 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.54 -53.91 35.47 Favored Glycine 0 CA--C 1.517 0.182 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.778 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.794 HD12 ' O ' ' A' ' 35' ' ' ALA . 4.0 mt -75.47 -35.52 32.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.428 0.156 . . . . 0.0 110.971 -179.199 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.457 ' HE3' ' N ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -63.94 -43.35 96.1 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.711 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.468 ' HA ' HD23 ' A' ' 41' ' ' LEU . 12.5 mt -52.4 -24.33 7.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.286 179.662 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.752 ' CE1' HG21 ' A' ' 46' ' ' THR . 47.2 t80 -83.23 -53.04 6.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.641 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.411 ' HA ' ' OG1' ' A' ' 46' ' ' THR . 3.3 mmtp -55.62 -26.15 42.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.877 0.37 . . . . 0.0 110.645 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.474 ' CE ' ' HA ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -58.91 -75.41 0.05 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.715 -179.224 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -61.11 -33.78 73.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.613 0.244 . . . . 0.0 111.44 -179.065 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.752 HG21 ' CE1' ' A' ' 42' ' ' PHE . 68.5 p -77.62 -71.62 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.736 0.303 . . . . 0.0 110.253 -179.37 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 43' ' ' LYS . 6.9 m -88.49 56.76 3.92 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.169 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -48.92 -51.86 27.81 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.01 -179.254 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 43.58 -168.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.189 -179.631 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.2 p . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.467 -0.778 . . . . 0.0 110.49 -179.792 . . . . . . . . 0 0 . 1 stop_ save_