data_2kog_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 2kog _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 ' 38' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.771 0.319 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 36.0 m -68.06 -24.97 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.564 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -61.66 -42.47 98.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.595 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -67.99 -31.6 71.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.434 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.4 t -64.53 -25.47 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.57 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.3 t -62.5 -44.92 99.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.356 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -62.36 -43.15 99.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.464 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.15 -43.81 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.53 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.452 ' C ' ' SD ' ' A' ' 46' ' ' MET . 18.8 tmm? -61.85 -40.84 96.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.458 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -60.38 -42.94 96.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.562 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.432 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 88.3 t -63.29 -43.77 98.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.738 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -57.03 -37.56 71.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.351 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.05 -44.66 99.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.032 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 48' ' ' VAL . 1.9 p30 -87.27 -8.69 56.49 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 48' ' ' VAL . 63.4 tttp . . . . . 0 N--CA 1.454 -0.26 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.623 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.2 p . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.798 0.332 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.7 t -61.27 -43.76 98.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.648 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.19 -28.03 68.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.697 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.67 -38.18 86.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.587 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -63.4 -43.4 97.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.491 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.433 ' N ' ' CD1' ' A' ' 84' ' ' LEU . 10.5 mp -63.3 -42.8 99.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.45 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -64.95 -35.99 82.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.642 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.685 -179.486 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 CA--C 1.522 -0.126 0 CA-C-O 120.814 0.34 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -61.24 -38.72 87.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.533 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 87.9 mmm -63.49 -35.79 81.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.444 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 15.9 tpp -75.37 -40.49 58.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.729 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.65 -46.3 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.87 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 21.0 tt -70.05 -37.95 73.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.518 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 48.6 tp -61.55 -41.81 97.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.512 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.91 -36.78 93.32 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.56 -46.72 95.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.721 0.296 . . . . 0.0 110.532 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 59.1 mt -62.1 -48.23 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.182 0.515 . . . . 0.0 110.668 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 80.6 m -61.81 -36.31 80.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.609 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.68 -37.59 79.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.511 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.409 HD12 HG23 ' A' ' 105' ' ' ILE . 95.8 mt -63.98 -43.32 97.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.465 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.53 -42.64 96.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.417 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.7 -41.65 97.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.547 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.36 -43.3 98.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.383 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.409 HG21 HD11 ' A' ' 109' ' ' ILE . 97.0 mt -62.87 -43.6 99.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.404 HG21 HD11 ' A' ' 110' ' ' ILE . 97.4 mt -63.7 -43.64 98.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.407 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.9 mm -63.66 -44.22 98.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.682 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.504 ' O ' ' N ' ' A' ' 116' ' ' THR . 69.8 t -67.29 -43.78 87.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.192 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -61.09 -44.86 96.72 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.811 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -60.46 -44.93 95.35 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.765 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 80.3 p -85.29 -13.56 49.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.8 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 112' ' ' VAL . 9.6 m . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.824 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.879 0.371 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.406 ' CG1' ' N ' ' A' ' 40' ' ' ASP . 13.6 p -61.92 -41.9 92.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.423 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.406 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 97.7 m-20 -63.85 -35.91 82.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.581 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -61.56 -40.31 94.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.391 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.8 t -63.25 -43.28 98.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.375 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.8 t -60.39 -44.2 95.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.249 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -59.78 -43.13 94.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.503 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.4 HD11 HG22 ' A' ' 45' ' ' ILE . 96.6 mt -63.83 -43.36 97.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.978 0.418 . . . . 0.0 110.474 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 99.4 mtp -67.59 -36.23 80.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.652 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -59.88 -47.92 83.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.998 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.02 -26.54 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.76 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -62.06 -39.7 93.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.484 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.1 t -63.52 -42.71 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.615 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -75.64 -20.68 58.32 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.733 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.1 tttp . . . . . 0 C--N 1.331 -0.214 0 CA-C-O 120.94 0.4 . . . . 0.0 110.55 -179.916 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.44 ' HG1' ' N ' ' A' ' 80' ' ' SER . 61.9 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.655 0.264 . . . . 0.0 110.495 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.44 ' N ' ' HG1' ' A' ' 79' ' ' THR . 42.4 t -61.67 -44.03 97.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.6 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.65 -34.17 77.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.749 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.86 -36.32 72.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.562 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -61.42 -42.78 99.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.41 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.418 ' N ' ' CD1' ' A' ' 84' ' ' LEU . 10.5 mp -62.81 -41.83 99.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.921 0.391 . . . . 0.0 110.264 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.18 -41.9 98.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.673 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 . . . . . 0 C--N 1.322 -0.59 0 CA-C-O 121.0 0.429 . . . . 0.0 110.925 -179.767 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 56.3 mt . . . . . 0 CA--C 1.524 -0.046 0 CA-C-O 120.825 0.345 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.77 -41.27 86.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.412 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 64.8 mtt -63.73 -37.97 89.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.476 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 27.1 ttt -60.57 -41.64 95.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.49 -44.09 98.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.362 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.84 -42.89 97.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.418 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.21 -42.03 94.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.485 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -60.65 -37.26 93.18 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 73.5 t -62.14 -46.83 95.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.829 0.347 . . . . 0.0 110.582 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 56.2 mt -63.26 -48.18 88.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.235 0.54 . . . . 0.0 110.56 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 90.3 m -61.39 -36.16 79.51 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.578 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.55 -36.06 77.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.563 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.85 -43.2 97.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.622 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.84 -41.86 92.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.45 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.6 -37.98 76.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.529 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 94.9 mt -60.67 -41.91 89.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.867 0.365 . . . . 0.0 110.512 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 33.6 mm -56.42 -40.76 69.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.012 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.422 HD11 HG22 ' A' ' 110' ' ' ILE . 34.7 mm -61.83 -44.11 98.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.412 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 45.6 mm -62.9 -48.26 88.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 116' ' ' THR . 89.7 t -66.3 -43.73 91.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.266 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -60.37 -42.97 96.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.843 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -59.22 -44.37 92.3 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.735 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.3 m -85.36 -14.77 45.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.778 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 112' ' ' VAL . 11.6 m . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.999 -1.001 . . . . 0.0 111.026 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.684 0.278 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.9 m -81.49 -12.73 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.631 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -63.33 -37.95 89.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.547 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.58 -36.53 84.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.517 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.7 t -65.59 -42.49 93.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.567 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 77.5 t -60.47 -44.85 97.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.284 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -60.86 -44.18 97.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.573 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.94 -43.46 97.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-O 121.059 0.457 . . . . 0.0 110.372 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 49.0 ttp -65.24 -38.38 90.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.684 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.403 ' NH1' ' OD2' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -58.16 -47.71 82.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.057 -179.164 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.7 p -73.39 -26.27 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.747 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -61.97 -35.66 79.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.272 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.0 t -64.1 -42.4 95.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.403 ' OD2' ' NH1' ' A' ' 47' ' ' ARG . 90.1 m-20 -65.59 -12.72 55.61 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.904 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.5 tttt . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.344 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.8 p . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.839 0.352 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.7 m -62.03 -38.14 87.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.692 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.21 89.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.647 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.71 -41.53 81.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.384 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -63.03 -42.71 99.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.462 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.97 -42.08 97.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.707 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -59.78 -34.26 72.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.607 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.654 -179.78 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.407 ' N ' ' CD1' ' A' ' 93' ' ' LEU . 10.7 mp . . . . . 0 CA--C 1.528 0.123 0 CA-C-O 120.79 0.328 . . . . 0.0 110.444 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -59.01 -40.13 83.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.523 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 36.7 ttm -61.69 -41.05 97.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.48 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 66.2 mtt -63.68 -41.29 98.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.533 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.416 HD13 HG21 ' A' ' 97' ' ' ILE . 97.0 mt -64.27 -43.86 97.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.468 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.62 -43.18 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.21 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.416 ' O ' ' SG ' ' A' ' 103' ' ' CYS . 53.8 tp -61.59 -41.92 98.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.53 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -59.01 -41.71 96.57 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.45 -46.91 93.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.798 0.332 . . . . 0.0 110.591 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 72.8 mt -62.21 -45.36 98.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.299 0.571 . . . . 0.0 110.381 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 99' ' ' LEU . 68.7 m -57.28 -31.6 65.78 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.27 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.6 -39.27 83.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.87 -45.42 97.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.521 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.54 -42.18 94.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.426 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 5.4 tt -56.3 -39.02 72.05 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.914 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 94.4 mt -61.06 -41.71 90.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.391 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 31.8 mm -53.93 -37.53 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.512 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.11 -45.2 99.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.433 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.495 ' N ' ' CD1' ' A' ' 111' ' ' ILE . 1.4 mp -66.26 -44.54 91.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.825 0.345 . . . . 0.0 110.334 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 91.0 t -66.05 -43.53 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.2 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.478 ' O ' ' CG2' ' A' ' 116' ' ' THR . 92.1 t80 -60.44 -43.32 96.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.715 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -63.07 -42.87 99.76 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.779 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.3 m -73.47 -15.09 61.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.012 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.478 ' CG2' ' O ' ' A' ' 113' ' ' TYR . 8.6 t . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.899 -1.048 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.863 0.363 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.03 -22.42 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.649 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -62.62 -32.23 73.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.501 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -78.48 -34.39 47.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.697 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.0 t -61.92 -46.86 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.7 m -59.61 -41.71 85.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.459 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -62.13 -42.59 99.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.379 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.89 -43.23 97.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.655 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 48.1 ttp -64.16 -39.31 93.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.417 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -58.24 -43.89 88.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.601 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 80.4 t -61.73 -43.94 97.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.543 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -60.32 -40.7 91.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.163 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.91 -42.35 88.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.162 0.506 . . . . 0.0 110.665 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -68.41 -20.95 64.69 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.486 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.2 tttm . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.657 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.1 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.926 0.393 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 95.1 p -59.99 -34.34 73.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.569 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.31 -36.1 82.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.614 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.68 -35.76 77.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.582 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -59.14 -45.75 90.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.596 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.417 ' N ' ' CD1' ' A' ' 84' ' ' LEU . 10.6 mp -63.02 -41.83 99.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.551 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.39 -40.36 97.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.38 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.764 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 48.7 tp . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -59.58 -34.11 72.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.347 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 97.5 mmm -61.97 -32.42 72.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.45 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 60.7 mtt -65.92 -41.32 91.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.676 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.52 -52.28 63.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.763 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 13.9 tt -69.34 -40.67 80.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.388 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.68 -41.56 99.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.504 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.45 ' O ' ' SG ' ' A' ' 103' ' ' CYS . . . -60.13 -40.38 97.1 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.58 -47.29 93.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.334 . . . . 0.0 110.661 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 60.9 mt -62.36 -49.12 85.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.144 0.497 . . . . 0.0 110.777 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.578 ' SG ' ' N ' ' A' ' 104' ' ' ALA . 6.1 p -60.37 -42.61 96.17 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.691 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.578 ' N ' ' SG ' ' A' ' 103' ' ' CYS . . . -53.12 -37.31 61.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.52 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.17 -42.79 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.425 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.05 -41.49 89.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.404 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.5 mp -59.37 -37.86 79.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.704 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 92.8 mt -61.62 -43.22 96.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.121 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.8 mm -63.54 -43.44 98.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.472 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.408 HG22 HD11 ' A' ' 110' ' ' ILE . 97.0 mt -63.1 -43.45 98.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.254 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.44 -44.01 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.696 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.32 -43.43 87.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.336 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -60.45 -42.59 96.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.769 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -59.16 -44.57 92.13 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.579 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.7 t -62.77 -42.24 99.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.594 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--N 1.326 -0.43 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.847 -179.946 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.852 0.358 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.4 m -69.61 -26.01 29.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.718 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 40' ' ' ASP . 66.8 t0 -63.38 -33.82 76.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.629 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -51.57 -19.9 1.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.617 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 p -57.46 -27.59 29.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.477 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' A' ' 44' ' ' ASP . 7.4 p -60.26 -45.12 96.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.098 0.475 . . . . 0.0 110.638 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.493 ' N ' ' CG1' ' A' ' 43' ' ' VAL . 48.8 t0 -61.97 -36.35 81.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.4 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.6 mm -62.37 -43.28 97.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.595 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 83.9 mmm -61.76 -39.25 90.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.798 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -61.01 -41.07 95.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.556 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.96 -42.68 96.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -59.35 -40.31 85.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.292 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.0 t -63.83 -39.78 86.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.719 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.85 -38.6 82.59 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.71 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--N 1.327 -0.39 0 CA-C-O 120.945 0.403 . . . . 0.0 110.434 179.565 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 31.1 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.71 0.29 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.4 t -60.98 -43.74 98.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.554 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.82 -37.5 87.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.759 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.78 -32.64 70.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.358 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -61.56 -45.07 95.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.556 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.414 ' N ' ' CD1' ' A' ' 84' ' ' LEU . 10.4 mp -63.02 -42.28 99.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.395 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -62.54 -43.67 98.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.725 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.541 -179.925 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.8 mt . . . . . 0 CA--C 1.523 -0.063 0 CA-C-O 120.668 0.27 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -62.0 -40.34 95.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.569 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 4.0 mmt -63.33 -36.13 82.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.451 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 37.8 tpp -59.48 -39.18 82.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.3 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 35.4 mm -62.52 -43.58 98.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.409 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 35.4 mm -63.63 -43.68 98.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.444 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.34 -39.6 91.17 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.644 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -59.88 -33.19 77.4 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 91.4 t -61.91 -47.64 92.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.92 0.391 . . . . 0.0 110.622 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.5 ' N ' ' CD1' ' A' ' 102' ' ' ILE . 1.5 mp -62.67 -45.59 98.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.439 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.8 p -60.68 -30.88 70.2 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.579 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.27 -46.34 76.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.434 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.457 ' N ' ' CD1' ' A' ' 105' ' ' ILE . 1.7 mp -63.02 -43.84 99.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.4 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.425 HD11 HG21 ' A' ' 106' ' ' ILE . 27.3 mm -58.16 -30.86 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.26 -179.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 86.8 mt -83.13 -44.37 15.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.807 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.14 -44.05 97.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.756 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 20.6 tt -63.18 -39.68 86.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.59 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.9 mm -62.73 -44.35 99.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.463 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.9 mm -65.49 -43.83 94.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.479 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 92.2 t -70.79 -26.0 27.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.597 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.08 -44.92 94.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.794 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -62.81 -36.96 84.89 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.748 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.9 t -71.07 -20.51 62.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.714 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.628 -179.833 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.791 0.329 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.9 t -63.71 -45.19 98.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.49 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -64.93 -35.37 80.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -57.7 -33.95 68.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.415 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.3 t -63.9 -43.24 97.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.523 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 92.1 t -60.03 -43.5 92.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.329 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.37 -41.82 97.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.502 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.412 HG21 HD12 ' A' ' 45' ' ' ILE . 95.0 mt -63.9 -44.05 97.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.548 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 95.9 mmm -65.7 -38.13 88.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.685 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -60.49 -43.09 97.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.401 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.15 -43.74 98.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.454 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 27.5 t-20 -59.18 -40.56 86.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.182 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.402 ' C ' ' H ' ' A' ' 52' ' ' LYS . 78.8 t -66.08 -41.94 90.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.8 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.54 -9.15 1.49 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.818 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 49' ' ' ASN . 30.4 mmtp . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.366 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 31.3 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.782 0.325 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.0 m -60.91 -42.51 98.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.649 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.97 -25.89 68.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.667 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.54 -35.44 76.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.389 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -61.0 -47.09 88.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.425 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 56.0 mt -64.04 -40.19 95.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.469 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -63.96 -36.8 85.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.779 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.859 -179.455 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.7 tp . . . . . 0 N--CA 1.46 0.033 0 CA-C-O 120.749 0.309 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -47.69 -26.55 1.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.782 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 96.9 mmm -63.34 -41.9 98.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -64.3 -41.39 96.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.53 -44.11 98.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.439 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.9 mm -63.57 -42.95 97.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.324 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.28 -41.36 96.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.427 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.3 -36.15 92.02 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 73.9 t -62.2 -46.48 96.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.764 0.316 . . . . 0.0 110.566 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 59.7 mt -62.7 -48.65 87.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.129 0.49 . . . . 0.0 110.7 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 98.8 m -62.54 -35.83 80.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.678 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.52 -36.64 78.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.528 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.55 -42.56 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.615 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.427 HG21 HD12 ' A' ' 106' ' ' ILE . 31.1 mm -59.23 -38.96 77.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.057 -179.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.3 tp -58.17 -42.44 86.02 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.46 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.9 mm -63.64 -43.85 98.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.803 0.335 . . . . 0.0 110.402 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.41 -43.66 98.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.324 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.408 HD11 HG22 ' A' ' 110' ' ' ILE . 97.6 mt -63.09 -43.41 98.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.397 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.9 mm -63.82 -44.14 98.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.484 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 70.1 t -67.41 -43.15 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.325 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -59.62 -44.75 93.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.749 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -60.67 -45.48 93.96 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.694 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 116' ' ' THR . 86.6 p -79.67 -8.81 59.45 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.846 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 115' ' ' SER . 4.3 t . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.899 -1.048 . . . . 0.0 111.586 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 . . . . . 0 N--CA 1.461 0.1 0 CA-C-O 120.896 0.379 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.1 p -67.06 -25.87 35.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.56 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -63.16 -35.97 82.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.668 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -57.01 -24.25 52.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.647 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.0 t -61.05 -22.18 26.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.512 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.68 -43.65 97.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.555 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -57.84 -42.43 84.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.3 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.495 ' N ' ' CD1' ' A' ' 45' ' ' ILE . 1.9 mp -63.32 -43.39 98.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.535 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 83.7 mtp -61.42 -39.58 91.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.422 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.65 -39.55 94.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.599 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.9 t -64.05 -40.47 89.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.505 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.453 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 47.7 t-20 -56.55 -39.96 74.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.426 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 84.7 t -64.61 -39.16 84.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.15 0.5 . . . . 0.0 110.591 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -61.7 -9.29 5.98 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.886 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 49' ' ' ASN . 30.0 mmtp . . . . . 0 C--N 1.327 -0.403 0 CA-C-O 121.011 0.434 . . . . 0.0 110.436 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.6 p . . . . . 0 CA--C 1.527 0.083 0 CA-C-O 120.823 0.344 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.5 m -61.96 -43.45 98.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.703 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.42 -36.62 84.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.739 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.55 -36.71 69.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.403 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -62.03 -48.27 81.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.866 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.412 ' N ' ' CD1' ' A' ' 84' ' ' LEU . 10.5 mp -66.39 -39.5 89.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.278 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -60.92 -29.52 69.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.583 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.756 -179.617 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.824 0.345 . . . . 0.0 110.471 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -57.25 -41.88 80.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.512 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 70.0 mtm -64.74 -40.0 94.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.566 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 91.2 mtp -63.82 -41.41 97.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.506 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.77 -43.63 98.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.401 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.19 -42.27 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.215 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 48.5 tp -59.31 -40.45 86.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.462 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.513 ' O ' ' SG ' ' A' ' 103' ' ' CYS . . . -60.92 -33.47 83.7 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.92 -43.92 96.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.826 0.346 . . . . 0.0 110.736 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 15.2 mm -63.64 -44.86 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.476 0.655 . . . . 0.0 110.662 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.576 ' SG ' ' N ' ' A' ' 104' ' ' ALA . 8.5 p -63.35 -44.06 95.93 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.554 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.576 ' N ' ' SG ' ' A' ' 103' ' ' CYS . . . -53.05 -36.27 60.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.705 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.11 -42.02 94.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.216 0.531 . . . . 0.0 110.271 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.46 -41.93 94.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.14 -47.9 83.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.729 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 22.1 pt -65.17 -38.63 83.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.338 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 74.5 mt -63.13 -43.59 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.481 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.22 -42.9 98.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.332 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.39 -44.24 99.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.495 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.53 -43.05 87.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.204 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -60.28 -41.45 93.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.791 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -59.9 -44.48 94.23 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.72 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.3 m -69.02 -34.31 75.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.566 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.6 m . . . . . 0 C--N 1.323 -0.576 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.687 -179.829 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.862 0.363 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 86.1 t -63.8 -25.68 38.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.489 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -82.32 -20.66 36.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.484 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -71.12 -40.54 71.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.047 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 m -65.85 -20.34 27.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-O 120.828 0.347 . . . . 0.0 110.818 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.2 t -62.12 -43.1 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.415 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -60.36 -39.99 89.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.589 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.463 ' N ' ' CD1' ' A' ' 45' ' ' ILE . 1.7 mp -63.96 -44.6 97.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.125 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 48.2 mtt -62.41 -38.92 91.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.485 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -58.25 -43.02 87.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.601 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.0 t -63.09 -43.43 98.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -61.25 -41.17 96.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.064 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.471 ' C ' ' H ' ' A' ' 52' ' ' LYS . 82.5 t -67.66 -41.04 85.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.84 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -53.91 -10.03 0.29 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.681 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.471 ' H ' ' C ' ' A' ' 50' ' ' VAL . 57.4 mtpt . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.38 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 58.9 p . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.886 0.374 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.8 t -61.64 -43.34 99.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.597 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.32 -38.12 89.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.731 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.61 95.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.644 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -63.39 -41.78 98.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.373 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.32 -43.31 99.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.266 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -62.73 -42.54 99.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.765 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.842 -179.748 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 79.6 mt . . . . . 0 N--CA 1.461 0.112 0 CA-C-O 120.868 0.366 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -62.51 -38.55 90.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.268 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 96.4 mmm -62.3 -38.26 88.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.544 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 67.3 mtt -60.67 -35.49 76.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.419 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 61.5 mt -62.17 -41.85 92.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.492 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 32.1 mm -57.3 -46.79 85.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.374 -178.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.31 -40.51 97.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 110.369 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.512 ' O ' ' SG ' ' A' ' 103' ' ' CYS . . . -61.36 -36.62 92.77 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.96 -47.15 91.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.805 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 60.1 mt -62.1 -48.16 89.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.321 0.581 . . . . 0.0 110.963 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.512 ' SG ' ' O ' ' A' ' 100' ' ' GLY . 5.5 p -57.4 -37.12 72.21 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.401 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.455 ' N ' ' SG ' ' A' ' 103' ' ' CYS . . . -58.29 -34.26 70.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.638 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 20.1 mm -63.64 -43.37 98.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.711 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.9 mm -56.0 -37.7 49.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.32 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 57.2 mt -60.99 -37.06 81.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.427 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 61.5 mt -57.09 -41.5 77.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.448 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.404 ' N ' ' CD1' ' A' ' 109' ' ' ILE . 1.8 mp -60.43 -41.22 86.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.003 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.405 HG21 HD11 ' A' ' 110' ' ' ILE . 33.9 mm -61.15 -44.64 98.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.457 -178.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 44.3 mm -63.69 -47.57 90.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.332 . . . . 0.0 110.864 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.439 ' O ' ' OG1' ' A' ' 116' ' ' THR . 85.6 t -66.07 -43.43 92.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.237 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -60.03 -43.95 94.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.793 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -60.29 -44.11 95.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.823 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 77.7 p -71.05 -22.12 62.17 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.603 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 112' ' ' VAL . 6.4 m . . . . . 0 C--N 1.324 -0.526 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.616 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.803 0.335 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.2 t -62.85 -44.45 99.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.39 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -64.13 -34.84 78.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.025 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.428 ' O ' ' OD2' ' A' ' 44' ' ' ASP . 83.1 tt0 -60.91 -31.05 70.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.573 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.5 t -63.82 -18.61 22.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.622 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.5 t -60.93 -47.74 92.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.738 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' A' ' 41' ' ' GLU . 0.7 OUTLIER -67.67 -38.05 83.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.561 179.729 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.9 mm -64.76 -44.05 96.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.469 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 62.7 ttp -61.92 -39.61 92.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.368 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -58.92 -43.37 91.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.468 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.63 -42.93 97.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.555 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -60.03 -41.34 92.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.043 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.81 -43.44 89.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.106 0.479 . . . . 0.0 110.654 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.14 -19.5 64.82 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.617 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.424 179.652 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 68.7 p . . . . . 0 CA--C 1.527 0.085 0 CA-C-O 120.705 0.288 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 78.1 p -62.45 -39.89 94.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.488 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.74 -36.27 83.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.578 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.32 -36.15 79.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.491 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -62.6 -42.06 99.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.617 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.13 -41.8 99.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.613 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -77.44 -18.12 57.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.563 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 . . . . . 0 C--N 1.327 -0.406 0 CA-C-O 121.141 0.496 . . . . 0.0 110.744 -179.637 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.4 pp . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.864 0.364 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -62.37 -42.63 99.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.362 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 96.8 mtp -63.72 -34.27 77.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.764 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 80.5 mtp -62.14 -36.04 80.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.633 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.04 -45.58 98.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.38 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.493 ' N ' ' CD1' ' A' ' 98' ' ' ILE . 1.5 mp -65.71 -44.37 93.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.937 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.51 -41.21 96.97 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.523 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -56.58 -37.95 78.58 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 74.6 t -61.08 -45.27 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.413 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.6 mm -64.43 -44.46 97.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.429 0.633 . . . . 0.0 110.457 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 90.0 m -63.82 -37.82 88.79 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.609 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.95 74.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.422 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.5 -43.41 98.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.505 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 30.3 mm -54.67 -37.47 39.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.181 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 61.0 mt -61.85 -40.6 95.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.551 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.9 mt -50.6 -40.59 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.53 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.485 ' N ' ' CD1' ' A' ' 109' ' ' ILE . 1.9 mp -61.97 -42.74 95.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.488 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.74 -43.8 97.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.545 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.1 mp -64.28 -45.2 96.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.274 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 77.9 t -64.95 -44.94 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.268 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -65.8 -38.76 89.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.712 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -60.34 -45.48 93.31 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.627 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 116' ' ' THR . 6.4 m -68.77 -18.04 64.14 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.952 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 115' ' ' SER . 3.9 t . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.95 -1.024 . . . . 0.0 111.393 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.895 0.378 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.7 p -59.31 -30.9 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.392 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 40' ' ' ASP . 65.2 t0 -64.25 -39.69 94.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.547 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -66.68 -35.99 81.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.579 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.7 t -53.21 -15.99 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.506 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.509 ' CG1' ' N ' ' A' ' 44' ' ' ASP . 9.5 p -60.07 -46.42 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.009 0.433 . . . . 0.0 110.591 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.509 ' N ' ' CG1' ' A' ' 43' ' ' VAL . 64.4 t0 -62.44 -42.69 99.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.522 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 35.2 mm -63.68 -43.76 98.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.475 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 37.0 ttm -61.86 -40.07 94.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.534 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -59.61 -42.75 93.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.314 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.46 -43.73 98.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.572 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -61.03 -41.16 96.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.171 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.3 t -67.11 -38.59 81.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.106 0.479 . . . . 0.0 110.858 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 51' ' ' ASP . 35.4 t0 -53.01 -17.76 1.64 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.739 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.444 179.82 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 62.5 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.938 0.399 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.1 m -60.86 -42.41 97.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.603 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.2 -17.59 49.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.711 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.22 -28.36 69.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.549 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -64.42 -43.54 94.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.723 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.448 ' N ' ' CD1' ' A' ' 84' ' ' LEU . 10.2 mp -63.4 -41.08 98.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.336 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -63.04 -41.88 99.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.439 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 . . . . . 0 C--N 1.326 -0.454 0 CA-C-O 121.022 0.439 . . . . 0.0 110.577 -179.925 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.8 tp . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 120.778 0.323 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.2 -39.52 94.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.519 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 26.0 tpp -62.54 -39.91 95.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.513 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 47.7 ttp -60.13 -44.08 95.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.581 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 65.2 mt -64.91 -45.31 95.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.467 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.9 mm -64.08 -43.48 97.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.446 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.9 tp -61.38 -38.79 88.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.326 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -58.65 -34.59 77.35 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 79.7 t -61.28 -47.67 92.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.509 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.441 ' N ' ' CD1' ' A' ' 102' ' ' ILE . 1.7 mp -63.79 -43.77 98.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.24 0.543 . . . . 0.0 110.437 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 92.2 m -60.31 -35.64 76.05 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.445 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.86 -34.98 73.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.3 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.406 HG23 HD13 ' A' ' 105' ' ' ILE . 21.4 mm -63.57 -43.52 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.115 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.27 -42.66 96.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.166 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.28 -42.62 98.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.693 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 91.3 mt -62.26 -42.83 96.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.392 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.16 -43.03 97.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.482 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.31 -44.79 99.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.395 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.1 mm -65.24 -44.54 95.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.74 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.442 ' O ' ' OG ' ' A' ' 115' ' ' SER . 73.1 t -67.28 -42.88 88.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.254 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -60.36 -44.37 95.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.808 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -62.52 -26.97 68.84 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.668 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 112' ' ' VAL . 72.4 p -82.08 -10.9 59.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.546 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.5 m . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.535 -179.937 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.813 0.339 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.3 p -64.83 -39.67 86.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.522 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -68.92 -20.65 64.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.793 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -65.97 -40.55 91.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.548 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.9 t -64.04 -43.93 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.398 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.2 t -60.29 -42.39 90.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.224 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.88 -40.77 94.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.597 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.428 HG23 HD13 ' A' ' 45' ' ' ILE . 95.5 mt -63.9 -43.76 97.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.704 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 68.8 mmm -64.43 -39.95 94.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.461 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -61.92 -42.92 99.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.611 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 73.7 t -64.12 -42.66 96.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -60.2 -40.64 90.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.142 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.7 t -65.03 -43.1 96.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.078 0.466 . . . . 0.0 110.58 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -66.75 -27.94 68.01 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.705 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.035 0.445 . . . . 0.0 110.403 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.1 p . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.804 0.335 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.465 ' HG ' ' N ' ' A' ' 81' ' ' ALA . 78.5 p -62.11 -40.01 94.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.585 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.465 ' N ' ' HG ' ' A' ' 80' ' ' SER . . . -76.89 -19.93 56.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.706 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.98 97.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.649 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.84 -44.92 91.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.726 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.9 mt -63.17 -42.06 99.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.445 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -60.4 -42.47 96.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.587 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.74 179.91 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.405 ' CD2' ' H ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.868 0.366 . . . . 0.0 110.063 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.34 -36.8 78.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.404 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 73.9 mtm -63.39 -39.06 93.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.426 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 90.1 mmm -66.47 -39.35 88.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.3 -49.6 83.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.106 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.0 tt -66.69 -38.01 80.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.673 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 31.2 mt -62.98 -39.76 95.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.343 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.486 ' O ' ' SG ' ' A' ' 103' ' ' CYS . . . -61.15 -33.81 85.63 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 85.6 t -62.99 -44.24 99.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.812 0.339 . . . . 0.0 110.729 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 12.9 mm -63.57 -45.21 98.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.205 0.526 . . . . 0.0 110.583 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 100' ' ' GLY . 5.6 p -64.07 -37.92 89.19 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.557 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.473 ' N ' ' SG ' ' A' ' 103' ' ' CYS . . . -59.82 -37.65 79.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.593 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.3 -43.38 98.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.508 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 63.1 mt -57.76 -30.89 38.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.142 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 53.5 tp -68.52 -36.27 78.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.757 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 42.0 mm -59.76 -48.45 87.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.209 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 18.5 pt -65.21 -39.46 85.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.842 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 78.0 mt -60.83 -42.32 92.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.5 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.9 mm -61.45 -42.08 92.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.336 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 116' ' ' THR . 81.0 t -60.81 -45.39 98.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.826 0.346 . . . . 0.0 110.123 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -63.67 -38.46 91.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -60.27 -45.18 94.21 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.809 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.5 m -89.98 -15.82 31.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.863 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.0 m . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 118.099 -0.953 . . . . 0.0 111.114 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.87 0.367 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.5 p -60.64 -26.82 39.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.363 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -61.5 -37.72 84.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.497 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.44 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 76.6 mm-40 -65.68 -29.53 70.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.472 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 82.4 t -69.59 -25.09 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.742 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.5 t -62.05 -47.1 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.715 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 41' ' ' GLU . 2.4 p-10 -71.69 -39.63 70.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.728 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.406 HD12 HG23 ' A' ' 45' ' ' ILE . 96.9 mt -63.55 -43.9 98.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.928 0.394 . . . . 0.0 110.448 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.8 ttm -61.54 -39.83 92.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.531 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -57.77 -42.72 84.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.511 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.89 -43.09 94.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.513 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -58.25 -37.6 75.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.26 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.48 -29.55 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.086 0.47 . . . . 0.0 110.536 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -78.37 -28.58 47.11 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.802 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.9 mttm . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.986 0.422 . . . . 0.0 110.971 179.633 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.41 ' CG2' ' N ' ' A' ' 80' ' ' SER . 11.6 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.792 0.329 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.41 ' N ' ' CG2' ' A' ' 79' ' ' THR . 94.7 p -60.81 -37.04 80.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.516 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.04 -22.2 65.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.6 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.38 -36.0 80.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.627 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -61.44 -42.27 98.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.464 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.2 tp -63.3 -42.7 99.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.489 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.43 -43.54 98.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.428 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.771 -179.93 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 49.2 tp . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.792 0.329 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -59.75 -39.8 86.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.393 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 65.0 mtt -63.97 -37.43 87.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.394 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 6.9 ttt -61.2 -35.74 77.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.78 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 95.4 mt -61.75 -42.37 94.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.266 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 96.6 mt -58.84 -47.08 90.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.567 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.454 ' N ' ' CD2' ' A' ' 99' ' ' LEU . 4.0 mm? -64.6 -38.05 89.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.366 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -58.29 -38.92 91.74 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.32 -47.87 91.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.464 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 53.8 mt -62.43 -47.92 90.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.407 0.622 . . . . 0.0 110.588 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 93.1 m -58.69 -38.87 79.2 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.409 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.06 -35.0 64.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.28 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 67.6 mt -63.28 -42.06 95.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.595 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 64.6 mt -60.8 -43.59 95.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.654 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.05 -41.27 97.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.509 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.413 HG22 HD11 ' A' ' 108' ' ' ILE . 96.8 mt -63.16 -43.24 98.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.432 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.39 -43.34 98.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.396 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 93.8 mt -61.94 -43.01 96.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.39 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.21 -42.13 94.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.654 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 52.1 t -57.36 -29.91 34.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -96.16 -17.52 20.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.489 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -61.35 -45.42 94.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.062 0.458 . . . . 0.0 110.897 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 116' ' ' THR . 8.6 t -63.36 -20.41 65.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.946 -179.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 115' ' ' SER . 4.9 t . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.038 -0.982 . . . . 0.0 111.364 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.784 0.326 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.6 m -62.09 -7.29 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.373 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 41' ' ' GLU . 42.2 p-10 -63.88 -35.66 81.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.522 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.505 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 98.1 mt-10 -66.36 -38.19 87.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.714 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.478 ' O ' ' SD ' ' A' ' 46' ' ' MET . 91.2 t -54.3 -16.78 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.491 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.17 -43.56 98.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.637 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 45' ' ' ILE . 2.5 p30 -62.84 -35.06 78.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.609 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.533 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 57.6 mt -63.63 -43.86 98.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.463 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.569 ' SD ' ' N ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -62.88 -38.37 90.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.34 -179.851 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -61.84 -40.65 96.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.51 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.21 -43.46 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.569 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -59.13 -40.47 85.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.048 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.9 t -66.14 -43.57 92.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.14 0.495 . . . . 0.0 110.81 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -74.42 -15.07 60.93 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.839 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.318 -179.89 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.754 0.311 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.7 t -61.45 -43.12 99.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.634 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.56 -38.27 90.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.663 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.85 92.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.419 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -62.48 -45.48 92.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.645 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.2 tp -62.93 -40.6 98.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.183 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -62.87 -41.4 99.36 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.803 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.108 -179.711 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.424 ' N ' ' CD1' ' A' ' 93' ' ' LEU . 10.4 mp . . . . . 0 CA--C 1.522 -0.119 0 CA-C-O 120.937 0.399 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -58.38 -43.56 88.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.411 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 66.0 mtt -64.74 -39.51 93.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.907 0.384 . . . . 0.0 110.447 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 62.9 ttp -61.52 -40.97 96.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.335 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.93 -43.51 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.497 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.67 -43.14 98.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.333 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.71 -40.31 96.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.65 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.6 -34.92 90.2 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 73.9 t -61.84 -46.76 95.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.601 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 59.7 mt -59.88 -48.24 88.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.416 0.627 . . . . 0.0 110.619 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 72.2 m -56.56 -35.06 67.73 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.472 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.53 -39.44 70.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.589 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.9 mp -62.85 -40.52 89.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.262 -0.427 . . . . 0.0 109.858 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 61.3 mt -57.91 -48.19 84.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.415 -178.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.44 -39.88 95.67 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.057 0.456 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 88.7 mt -62.38 -43.18 97.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.003 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.5 tp -53.21 -33.84 21.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.032 0.444 . . . . 0.0 110.027 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 44.4 mm -65.49 -43.02 94.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.697 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 37.5 mm -59.32 -51.87 67.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.018 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.3 m -67.83 -42.93 86.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.989 0.423 . . . . 0.0 110.544 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -59.65 -43.57 93.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.814 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -59.9 -43.99 94.5 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.749 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.3 m -85.38 -7.02 59.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.686 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 31.0 m . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.575 -179.895 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.481 ' NE2' ' OE1' ' A' ' 41' ' ' GLU . 61.1 tp60 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.793 0.33 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.425 ' O ' ' CG1' ' A' ' 42' ' ' VAL . 92.9 t -63.11 -46.47 95.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.512 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 40' ' ' ASP . 65.4 t0 -65.42 -37.41 86.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.609 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.481 ' OE1' ' NE2' ' A' ' 38' ' ' GLN . 97.0 mt-10 -58.96 -19.93 47.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.77 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.425 ' CG1' ' O ' ' A' ' 39' ' ' VAL . 8.1 p -48.4 -25.58 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.429 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.6 t -61.97 -44.04 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.297 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -58.63 -44.71 90.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.715 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.7 mp -64.69 -42.56 95.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.39 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 91.2 mtp -61.65 -41.32 97.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.493 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -63.19 -39.55 94.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.578 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.6 t -63.9 -43.87 97.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.607 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -61.5 -42.07 98.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.32 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.439 ' C ' ' H ' ' A' ' 52' ' ' LYS . 99.2 t -71.82 -28.33 30.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.141 0.496 . . . . 0.0 110.851 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -56.18 -9.24 0.61 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.599 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.439 ' H ' ' C ' ' A' ' 50' ' ' VAL . 63.9 pttt . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.396 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.9 m . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 120.826 0.346 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.2 t -61.64 -43.07 99.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.467 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.88 -37.28 86.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.647 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.84 -47.95 79.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.635 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -61.65 -42.51 98.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.431 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.97 -41.29 97.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.417 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.1 -35.93 78.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.56 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 -179.417 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 83.3 mt . . . . . 0 N--CA 1.461 0.1 0 CA-C-O 120.797 0.332 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -63.73 -34.18 77.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.524 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 97.1 mtp -64.86 -38.95 92.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.658 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 36.9 ttm -61.89 -36.23 80.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.316 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.4 mm -61.68 -46.74 95.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.654 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 35.7 mm -64.51 -43.43 96.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.113 0.483 . . . . 0.0 110.292 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.7 tt -62.02 -39.42 92.21 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.802 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -59.3 -34.76 81.8 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 94.5 t -63.31 -44.86 99.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 110.67 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.8 mm -64.36 -44.14 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.342 0.592 . . . . 0.0 110.453 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 82.8 m -63.09 -36.29 83.09 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.455 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.35 -35.46 77.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.489 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.48 -43.65 98.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.383 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 35.8 mm -63.85 -42.83 97.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.372 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.73 -44.11 97.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.119 0.485 . . . . 0.0 110.169 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.415 HG22 HD13 ' A' ' 108' ' ' ILE . 96.2 mt -62.64 -42.34 95.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.426 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.7 mm -61.51 -42.65 94.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.439 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.07 -43.87 98.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.923 0.392 . . . . 0.0 110.314 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.4 mm -65.21 -43.97 95.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.933 0.397 . . . . 0.0 110.498 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 98.9 t -71.52 -25.36 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.533 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.428 ' O ' ' CG2' ' A' ' 116' ' ' THR . 91.3 t80 -60.71 -44.69 96.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.631 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -65.67 -38.13 88.44 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.724 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 74.6 m -82.64 -7.66 59.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.813 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.428 ' CG2' ' O ' ' A' ' 113' ' ' TYR . 13.7 t . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.892 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.875 0.369 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.1 p -67.57 -37.24 78.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.592 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 40' ' ' ASP . 47.9 t0 -64.97 -22.09 66.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.407 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -55.12 -21.97 14.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.699 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.1 p -62.05 -22.51 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.489 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.499 ' CG1' ' N ' ' A' ' 44' ' ' ASP . 9.4 p -58.81 -45.13 91.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.071 0.462 . . . . 0.0 110.536 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.499 ' N ' ' CG1' ' A' ' 43' ' ' VAL . 99.4 m-20 -57.5 -45.04 85.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.291 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.37 -42.7 97.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.449 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.431 ' C ' ' SD ' ' A' ' 46' ' ' MET . 13.9 tmm? -59.83 -38.77 82.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.602 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 -62.34 -39.35 92.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.513 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.2 t -61.92 -44.4 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.666 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -60.09 -40.31 89.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.944 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.21 -41.42 92.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.71 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.53 -38.26 83.87 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.557 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.951 0.405 . . . . 0.0 110.461 179.874 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 66.3 p . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.875 0.369 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.0 p -63.28 -29.23 70.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.485 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.96 98.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.504 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.06 82.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.857 0.36 . . . . 0.0 110.573 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -65.5 -37.69 87.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.515 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.8 tp -60.59 -42.9 97.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.495 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.19 -40.68 96.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.231 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.051 -179.818 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 41.5 mt . . . . . 0 CA--C 1.522 -0.117 0 CA-C-O 120.802 0.334 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -54.77 -49.74 70.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.105 0.478 . . . . 0.0 110.155 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 37.8 ttm -64.21 -37.12 86.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.388 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 97.4 mmm -63.33 -35.83 81.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.381 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.44 -42.9 97.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.548 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.57 -43.61 98.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.084 0.469 . . . . 0.0 109.944 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -40.3 95.73 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.245 0.545 . . . . 0.0 110.743 -179.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -57.52 -33.19 65.99 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.9 t -62.18 -47.02 95.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.323 . . . . 0.0 110.476 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.459 ' N ' ' CD1' ' A' ' 102' ' ' ILE . 1.7 mp -63.57 -44.77 98.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.242 0.544 . . . . 0.0 110.427 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 97.4 m -64.16 -42.82 96.59 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.576 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.32 -36.59 43.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.629 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.65 -42.37 95.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.538 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.3 mt -60.12 -43.19 92.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.289 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.419 ' N ' ' CD2' ' A' ' 107' ' ' LEU . 4.2 mm? -63.07 -41.81 99.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.126 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 89.5 mt -60.82 -42.24 91.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.581 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 86.5 mt -56.9 -39.85 67.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.341 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 94.4 mt -60.5 -44.23 96.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.466 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.1 mp -65.01 -44.48 95.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.272 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 78.0 t -64.81 -39.32 85.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.089 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -53.16 -45.26 68.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.714 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -62.71 -41.23 99.03 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.872 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 78.1 p -71.61 -22.01 61.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.792 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.1 m . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.677 -179.818 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.746 0.308 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.0 t -62.06 -43.63 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.473 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -60.81 -34.58 74.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.456 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.31 -33.98 77.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.683 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.5 t -63.3 -7.82 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.582 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.513 ' CG1' ' N ' ' A' ' 44' ' ' ASP . 7.2 p -60.34 -46.13 95.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.145 0.498 . . . . 0.0 110.644 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.513 ' N ' ' CG1' ' A' ' 43' ' ' VAL . 98.6 m-20 -63.43 -43.1 98.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.448 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.6 mm -64.94 -43.38 96.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.641 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 45.6 ttp -51.81 -43.72 63.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.463 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -61.18 -43.05 99.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.479 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.9 t -66.22 -42.84 91.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.644 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -57.94 -41.18 82.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.078 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.8 t -64.11 -43.47 97.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.056 0.455 . . . . 0.0 110.734 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -63.34 -33.69 76.08 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.745 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.5 tttp . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.314 -179.831 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 45.1 p . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.767 0.318 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 94.9 p -58.11 -31.58 67.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.444 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.3 -34.02 73.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.493 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.02 -44.89 91.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.662 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -63.61 -38.82 92.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.442 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 48.3 tp -62.72 -42.35 99.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.487 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.1 -38.92 88.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.421 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.656 -179.888 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 121.224 0.535 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -64.37 -33.96 77.07 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.47 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 58.1 mtt -62.27 -34.73 77.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.318 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 97.0 mmm -75.4 -38.34 59.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.427 HD11 HG23 ' A' ' 97' ' ' ILE . 96.6 mt -66.05 -46.28 88.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.18 -179.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 20.5 tt -65.43 -38.59 82.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.619 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 32.8 mt -62.7 -39.79 95.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.729 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.08 -33.62 84.79 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.0 t -63.24 -43.78 98.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.81 0.338 . . . . 0.0 110.524 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.6 mm -62.46 -44.48 99.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.339 0.59 . . . . 0.0 110.449 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 11.1 p -70.44 -32.64 70.3 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.832 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.77 -51.01 71.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.011 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 21.5 pt -64.94 -33.85 66.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 82.4 mt -62.69 -42.29 95.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.306 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.4 tp -59.19 -42.94 92.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.564 -178.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 40.5 mm -63.01 -42.74 97.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.527 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.402 HD13 HG23 ' A' ' 109' ' ' ILE . 95.9 mt -62.09 -42.98 97.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.332 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.7 mt -62.56 -44.74 99.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.521 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 33.1 mm -65.19 -44.48 95.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.764 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 70.4 t -67.31 -43.06 88.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.161 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.485 ' O ' ' CG2' ' A' ' 116' ' ' THR . 88.5 t80 -61.81 -40.28 94.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.696 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -63.75 -41.82 97.94 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.642 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.8 t -66.9 -19.03 65.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.932 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 113' ' ' TYR . 10.9 t . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.828 -1.082 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 . . . . . 0 C--O 1.229 0.013 0 CA-C-O 120.908 0.385 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.2 t -64.31 -43.23 97.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.413 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -61.79 -38.03 86.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.661 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -52.78 -18.63 1.96 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.621 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.53 -29.27 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.329 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 77.3 t -61.36 -44.75 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.503 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.01 -40.35 95.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.446 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.6 mt -78.87 -30.79 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.986 0.422 . . . . 0.0 110.65 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 47.6 ttp -59.56 -48.41 81.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.857 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -65.9 -39.84 90.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.727 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.2 t -66.36 -43.1 91.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.432 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -57.98 -41.28 82.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.128 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.16 -43.64 98.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.084 0.468 . . . . 0.0 110.753 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -64.34 -33.68 76.41 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.355 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.1 tttm . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.351 -179.737 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.794 0.33 . . . . 0.0 110.514 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.4 m -58.8 -41.99 88.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.622 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.07 -22.78 67.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.713 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.18 -35.1 66.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.534 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -59.87 -41.43 91.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.539 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.73 -40.44 97.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.612 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -64.08 -37.02 85.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.697 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.907 -179.624 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 3.9 mm? . . . . . 0 CA--C 1.52 -0.201 0 CA-C-O 120.578 0.227 . . . . 0.0 110.671 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -52.62 -34.49 51.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.408 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 42.9 tpp -60.22 -39.4 86.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.059 0.457 . . . . 0.0 110.392 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 28.3 ttt -67.85 -38.07 82.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.515 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 36.3 mm -60.89 -50.53 80.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 13.2 tt -67.8 -37.35 78.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.688 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.58 -41.07 98.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.521 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.471 ' O ' ' SG ' ' A' ' 103' ' ' CYS . . . -62.27 -34.54 89.53 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.6 t -61.56 -45.66 98.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.589 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 59.2 mt -61.45 -50.24 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.788 -179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.471 ' SG ' ' O ' ' A' ' 100' ' ' GLY . 8.7 p -60.97 -36.33 79.12 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.63 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.466 ' N ' ' SG ' ' A' ' 103' ' ' CYS . . . -59.51 -38.81 81.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.482 -179.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.8 -42.73 97.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.456 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.419 HD12 HG21 ' A' ' 106' ' ' ILE . 32.6 mm -57.35 -38.52 62.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.27 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.38 -37.35 80.47 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.581 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.457 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 35.4 mm -61.82 -42.61 95.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 33.3 mm -69.35 -42.83 81.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.602 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.92 -50.85 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.088 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 10.8 tp -66.78 -37.61 79.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 108' ' ' ILE . 37.5 t -66.08 -39.15 83.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.125 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -56.19 -46.34 79.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.552 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -62.19 -40.52 96.32 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.882 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.2 t -70.93 -33.79 70.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.757 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 C--O 1.219 -0.546 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.656 -179.611 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.84 0.353 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.4 t -62.29 -43.99 98.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.287 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -46.64 -20.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.771 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -93.11 -38.36 11.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.39 -43.02 97.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.666 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 44' ' ' ASP . 9.7 p -54.77 -40.21 50.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.341 0.591 . . . . 0.0 110.46 -179.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.45 ' N ' ' CG1' ' A' ' 43' ' ' VAL . 65.6 t0 -58.75 -41.51 86.7 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.267 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.5 mm -64.28 -42.25 94.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.474 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.5 ttm -57.25 -40.0 76.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.61 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.98 -39.13 93.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.832 0.348 . . . . 0.0 110.561 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.9 t -63.68 -43.14 97.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -58.94 -40.05 83.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.232 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.49 -36.84 78.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.771 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -51.82 -25.3 7.47 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.68 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.25 179.831 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.711 0.291 . . . . 0.0 110.455 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.0 t -60.7 -42.68 97.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.666 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.2 -16.88 64.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.82 -48.8 63.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.474 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -63.35 -41.74 98.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.806 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 52.7 mt -62.5 -41.83 99.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.587 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -62.79 -40.11 96.3 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.578 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.622 -179.672 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.7 mp . . . . . 0 N--CA 1.462 0.145 0 CA-C-O 120.972 0.415 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -59.22 -39.89 84.14 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.582 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 81.0 mmm -60.87 -38.69 86.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.367 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 66.0 mtt -60.11 -32.59 71.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.617 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 63.7 mt -60.94 -42.36 92.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.352 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.56 -42.32 87.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.002 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.2 mp -60.64 -40.98 93.97 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.372 -179.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -62.97 -36.25 93.19 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 73.3 t -62.72 -45.94 97.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.701 0.286 . . . . 0.0 110.684 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 59.7 mt -62.61 -47.69 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.212 0.53 . . . . 0.0 110.497 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 95.3 m -61.82 -36.82 82.28 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.613 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.7 -36.86 79.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.483 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.39 -44.37 97.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.619 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 63.0 mt -61.15 -39.29 81.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.19 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.9 tp -58.51 -37.99 76.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.468 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.432 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 96.3 mt -61.56 -43.86 97.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 0.0 110.351 -179.063 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 3.4 mp -66.93 -43.61 89.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.547 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.417 HD11 HG21 ' A' ' 110' ' ' ILE . 96.7 mt -60.32 -52.1 65.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.063 -178.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 10.7 tp -66.81 -37.61 79.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.715 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' A' ' 108' ' ' ILE . 30.2 t -65.13 -39.51 85.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.003 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -55.35 -46.01 76.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -178.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -61.61 -44.66 96.58 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.525 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.7 t -67.67 -18.39 64.92 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.935 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.403 ' OG1' ' OXT' ' A' ' 116' ' ' THR . 3.8 t . . . . . 0 N--CA 1.468 0.454 0 CA-C-O 118.042 -0.98 . . . . 0.0 111.551 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.775 0.321 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.1 t -62.88 -44.08 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.567 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -54.13 -38.19 65.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.383 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -67.31 -35.42 79.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.523 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.2 t -65.92 -27.12 40.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.529 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.4 t -63.35 -45.91 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.468 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -63.11 -42.29 99.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.623 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.45 -43.4 98.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.48 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 75.6 mmm -64.3 -40.6 96.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.665 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -60.69 -43.12 98.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.53 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.41 -43.03 98.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.53 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -58.87 -41.09 86.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.269 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.7 t -65.01 -42.19 94.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.623 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 51' ' ' ASP . 66.7 t0 -61.4 -34.79 75.95 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.619 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.436 -179.944 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 68.8 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.879 0.371 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.4 t -61.94 -43.31 99.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.555 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.37 -35.82 81.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.628 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.7 -35.61 76.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.677 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -59.93 -46.03 90.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.434 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.495 ' N ' ' CD2' ' A' ' 84' ' ' LEU . 4.0 mm? -63.55 -41.29 98.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.459 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.06 -37.46 87.27 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.559 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.2 tpt85 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.76 -179.323 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 54.5 mt . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.779 0.324 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.1 -42.6 95.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.661 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 58.2 mtt -64.46 -38.71 91.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.511 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 92.5 mtp -63.27 -40.88 98.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.484 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.91 -43.97 97.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.403 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.25 -42.78 97.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.339 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.62 -41.8 97.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.219 0.533 . . . . 0.0 110.143 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -56.77 -37.37 76.96 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 80.3 t -61.9 -44.42 98.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.768 0.318 . . . . 0.0 110.509 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.9 mm -64.03 -43.77 97.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.482 0.658 . . . . 0.0 110.418 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 89.8 m -63.63 -36.36 83.56 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.485 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.82 -36.34 78.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.535 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.26 -42.36 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.497 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.4 mm -57.13 -39.08 64.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.27 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.38 -41.69 94.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.416 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.5 mm -64.38 -43.32 97.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.903 0.382 . . . . 0.0 110.39 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.66 -43.71 98.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.44 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.52 -43.31 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.449 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.8 mm -63.61 -44.08 98.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.623 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.406 ' O ' ' OG1' ' A' ' 116' ' ' THR . 78.8 t -66.96 -44.41 88.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.155 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -63.79 -39.25 93.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.787 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -60.14 -45.09 94.2 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.672 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.3 t -70.85 -36.21 72.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.604 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 112' ' ' VAL . 13.2 m . . . . . 0 C--N 1.323 -0.577 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.681 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.814 0.34 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.15 -43.02 92.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.404 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -65.04 -19.8 66.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.469 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 -64.76 -31.35 72.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.467 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.4 t -62.74 -15.51 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.569 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.512 ' CG1' ' N ' ' A' ' 44' ' ' ASP . 7.3 p -58.03 -44.35 86.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 -179.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.512 ' N ' ' CG1' ' A' ' 43' ' ' VAL . 48.7 t0 -54.11 -41.28 68.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.283 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 35.7 mm -63.51 -42.38 95.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.607 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 56.3 ttp -66.49 -36.4 82.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.604 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.16 -48.15 82.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.3 m -70.53 -27.21 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.884 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -63.04 -36.88 85.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.453 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.6 t -62.64 -39.01 83.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.329 0.585 . . . . 0.0 110.571 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -71.16 -35.5 71.68 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.895 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.467 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.792 0.33 . . . . 0.0 110.431 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.459 ' HG ' ' N ' ' A' ' 81' ' ' ALA . 93.6 p -58.64 -37.52 76.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.66 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.459 ' N ' ' HG ' ' A' ' 80' ' ' SER . . . -62.31 -27.63 69.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.617 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.05 -38.52 86.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.523 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -62.78 -42.32 99.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.566 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.464 ' N ' ' CD1' ' A' ' 84' ' ' LEU . 9.7 mp -65.95 -37.58 86.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.335 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -59.88 -32.23 70.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.518 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.444 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' A' ' 93' ' ' LEU . 10.0 mp . . . . . 0 N--CA 1.461 0.107 0 CA-C-O 120.705 0.288 . . . . 0.0 110.477 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 66.6 tttm -61.24 -37.1 81.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.557 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 98.2 mtp -63.49 -36.25 83.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.595 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.0 mmt -62.01 -39.32 91.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.416 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.404 HG22 HD11 ' A' ' 97' ' ' ILE . 36.7 mm -63.08 -43.9 99.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.511 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.85 -43.54 98.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.393 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.7 mt -61.71 -39.2 90.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.679 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.455 ' O ' ' SG ' ' A' ' 103' ' ' CYS . . . -61.27 -34.96 90.09 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 72.0 t -61.51 -45.42 98.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.724 0.297 . . . . 0.0 110.496 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.406 ' O ' ' CG1' ' A' ' 105' ' ' ILE . 64.5 mt -60.56 -50.29 80.98 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.586 0 CA-C-O 121.269 0.557 . . . . 0.0 110.541 -179.324 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.455 ' SG ' ' O ' ' A' ' 100' ' ' GLY . 13.2 p -64.98 -25.29 67.8 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.14 0.495 . . . . 0.0 110.593 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.75 -52.92 61.03 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.068 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.406 ' CG1' ' O ' ' A' ' 102' ' ' ILE . 6.2 pt -62.64 -39.28 84.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.903 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.91 -41.91 77.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.2 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 80.2 mt -59.42 -38.86 81.72 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.272 -178.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.403 HG22 HD12 ' A' ' 108' ' ' ILE . 36.8 mm -59.96 -42.8 90.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.681 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.424 HG23 HD12 ' A' ' 109' ' ' ILE . 36.6 mm -62.93 -42.92 98.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.662 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 95.0 mt -62.44 -43.75 98.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.434 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.417 HG22 HD12 ' A' ' 111' ' ' ILE . 32.6 mm -64.36 -44.16 97.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.797 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.441 ' O ' ' OG1' ' A' ' 116' ' ' THR . 69.7 t -66.41 -42.95 91.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.224 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -60.11 -41.09 91.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.846 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -59.03 -42.58 90.55 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.541 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 83.8 p -79.64 -8.32 59.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.823 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 112' ' ' VAL . 16.3 m . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.669 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.551 ' SD ' ' N ' ' A' ' 4' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 t -61.32 -44.03 97.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.564 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.433 ' CA ' ' SD ' ' A' ' 1' ' ' MET . . . -168.71 112.14 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.551 ' N ' ' SD ' ' A' ' 1' ' ' MET . 89.4 m -126.01 129.57 49.46 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.454 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.61 145.86 37.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.455 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.428 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -63.83 -37.84 88.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.592 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 6' ' ' ALA . 45.6 p 51.74 64.79 1.71 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.51 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -57.06 152.0 31.63 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.616 -179.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.49 165.99 21.0 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 122.474 2.116 . . . . 0.0 112.369 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -49.95 140.34 31.6 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.385 2.056 . . . . 0.0 112.061 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.24 90.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.509 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 50.71 73.21 1.02 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.486 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 14' ' ' ALA . 52.2 Cg_exo -52.64 -38.69 76.63 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.74 2.294 . . . . 0.0 112.103 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . 59.59 118.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.514 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.63 -108.75 0.24 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 54.41 40.55 31.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.809 0.337 . . . . 0.0 110.542 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.97 145.77 47.09 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.481 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 178.85 51.89 0.08 OUTLIER Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 18' ' ' GLY . 23.5 Cg_endo -62.4 166.28 13.5 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.485 2.124 . . . . 0.0 112.093 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -48.86 -38.52 38.4 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 122.347 2.031 . . . . 0.0 111.93 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 56.04 68.43 2.32 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.461 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -77.63 161.38 30.97 Favored 'Trans proline' 0 C--N 1.31 -1.472 0 C-N-CA 122.465 2.11 . . . . 0.0 112.239 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -39.29 155.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 122.581 2.187 . . . . 0.0 112.21 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.75 144.39 71.36 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.635 2.223 . . . . 0.0 111.96 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -63.23 -40.54 97.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.466 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.6 mt -111.9 145.22 39.91 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.44 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.47 ' CG2' ' N ' ' A' ' 28' ' ' SER . 15.2 t -62.5 -45.65 92.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.442 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.47 ' N ' ' CG2' ' A' ' 27' ' ' THR . 58.2 m -142.25 149.03 39.06 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.56 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -159.03 -88.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.607 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -170.09 -65.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.526 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -60.69 -42.85 97.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.509 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.3 -41.49 98.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.711 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -59.47 -41.91 90.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.52 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -63.83 -26.53 68.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.639 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.452 HG22 ' H ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -69.51 175.17 4.26 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 120.953 0.406 . . . . 0.0 110.389 -179.617 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.452 ' H ' HG22 ' A' ' 35' ' ' THR . 86.4 mt-30 -91.25 -10.75 40.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.62 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.1 -25.5 67.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.645 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -69.51 -55.16 10.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 36.0 m -68.06 -24.97 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.564 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -61.66 -42.47 98.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.595 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -67.99 -31.6 71.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.434 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.4 t -64.53 -25.47 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.57 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.3 t -62.5 -44.92 99.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.356 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -62.36 -43.15 99.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.464 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.15 -43.81 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.53 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.452 ' SD ' ' C ' ' A' ' 46' ' ' MET . 18.8 tmm? -61.85 -40.84 96.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.458 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -60.38 -42.94 96.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.562 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.432 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 88.3 t -63.29 -43.77 98.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.738 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -57.03 -37.56 71.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.351 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.05 -44.66 99.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.032 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 48' ' ' VAL . 1.9 p30 -87.27 -8.69 56.49 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 48' ' ' VAL . 63.4 tttp -65.45 -46.68 78.94 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.623 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.39 -41.74 93.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.5 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.5 -42.6 99.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.602 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -71.97 141.84 49.4 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.351 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -129.95 150.66 51.13 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.574 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -84.0 101.05 11.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.407 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -73.78 129.99 39.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.571 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.422 ' CD ' ' N ' ' A' ' 59' ' ' LYS . 4.0 mptp? -63.33 -41.91 98.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.598 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.514 ' C ' ' H ' ' A' ' 62' ' ' GLU . 54.7 mt -62.99 -41.14 99.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.495 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.2 t 54.2 6.2 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.723 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.514 ' H ' ' C ' ' A' ' 60' ' ' LEU . 97.6 mt-10 -63.24 -16.66 60.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.655 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 tp 61.92 6.33 1.66 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.597 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 62' ' ' GLU . 99.4 m-20 -77.47 122.93 25.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.511 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.4 -42.43 99.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.609 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 -140.1 148.62 41.98 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.461 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.48 -10.89 2.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.515 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 69' ' ' ALA . 37.3 p-10 -63.95 -37.15 86.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.675 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.506 ' N ' ' OD1' ' A' ' 68' ' ' ASP . . . 60.83 55.94 3.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.748 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' A' ' 69' ' ' ALA . 86.6 mt -47.28 -96.64 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.728 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -173.44 -77.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.632 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.35 152.87 22.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.528 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 156.94 -163.47 32.29 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 75' ' ' SER . . . -63.23 -38.43 91.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.683 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 74' ' ' ALA . 16.8 t 57.53 154.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.665 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -75.86 -14.76 60.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.526 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -60.8 -45.83 92.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.626 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -65.09 -41.39 95.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.601 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.2 p -66.29 -34.23 77.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.66 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.7 t -61.27 -43.76 98.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.648 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.19 -28.03 68.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.697 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.67 -38.18 86.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.587 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -63.4 -43.4 97.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.491 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.433 ' CD1' ' N ' ' A' ' 84' ' ' LEU . 10.5 mp -63.3 -42.8 99.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.45 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -64.95 -35.99 82.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.642 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -58.54 -34.09 70.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.685 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -60.65 -43.85 97.09 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.63 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -65.55 -40.49 92.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.736 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -87.81 179.36 6.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.553 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.607 ' N ' ' CD1' ' A' ' 90' ' ' TRP . 0.0 OUTLIER -153.25 78.97 1.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.397 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -79.88 -10.72 59.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.56 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 93' ' ' LEU . 32.0 p-10 -63.27 -39.42 94.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.56 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.414 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 88.8 mt -62.46 -41.03 98.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.638 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -61.24 -38.72 87.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.533 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 87.9 mmm -63.49 -35.79 81.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.444 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 15.9 tpp -75.37 -40.49 58.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.729 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.65 -46.3 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.87 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 21.0 tt -70.05 -37.95 73.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.518 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 48.6 tp -61.55 -41.81 97.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.512 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.91 -36.78 93.32 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.56 -46.72 95.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.721 0.296 . . . . 0.0 110.532 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 59.1 mt -62.1 -48.23 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.182 0.515 . . . . 0.0 110.668 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 80.6 m -61.81 -36.31 80.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.609 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.68 -37.59 79.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.511 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.409 HD12 HG23 ' A' ' 105' ' ' ILE . 95.8 mt -63.98 -43.32 97.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.465 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.53 -42.64 96.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.417 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.7 -41.65 97.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.547 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.36 -43.3 98.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.383 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.409 HG21 HD11 ' A' ' 109' ' ' ILE . 97.0 mt -62.87 -43.6 99.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.404 HD11 HG21 ' A' ' 110' ' ' ILE . 97.4 mt -63.7 -43.64 98.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.407 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.9 mm -63.66 -44.22 98.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.682 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.504 ' O ' ' N ' ' A' ' 116' ' ' THR . 69.8 t -67.29 -43.78 87.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.192 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -61.09 -44.86 96.72 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.811 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -60.46 -44.93 95.35 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.765 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 80.3 p -85.29 -13.56 49.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.8 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 112' ' ' VAL . 9.6 m . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.824 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.0 ttp . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.2 m -60.5 -41.35 94.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.607 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.89 94.24 3.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.614 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 58.9 p -66.29 -34.71 78.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.558 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -170.22 13.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.548 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 50.85 81.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.61 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.5 m -62.62 -46.1 89.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.515 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.7 t 45.09 67.76 3.89 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.322 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -78.36 115.56 3.72 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.606 2.204 . . . . 0.0 111.823 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -50.32 -38.39 52.14 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 122.341 2.027 . . . . 0.0 112.286 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -156.86 152.89 27.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.583 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 58.83 74.82 0.56 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.411 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -51.86 -38.3 67.73 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.795 2.33 . . . . 0.0 112.183 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.06 139.27 48.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.517 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.61 -40.6 97.68 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -72.68 129.31 37.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.747 0.308 . . . . 0.0 110.401 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 150.3 146.79 4.4 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.515 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 150.45 -49.81 0.55 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 18' ' ' GLY . 24.7 Cg_exo -60.19 -174.17 0.09 OUTLIER 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.679 2.253 . . . . 0.0 112.073 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' A' ' 19' ' ' PRO . 31.6 Cg_exo -60.88 146.14 97.99 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 122.742 2.294 . . . . 0.0 111.973 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.57 164.8 0.19 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.479 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -42.36 155.49 0.1 Allowed 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.579 2.186 . . . . 0.0 112.157 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.62 163.91 31.01 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 122.568 2.179 . . . . 0.0 112.139 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -44.18 -55.85 2.89 Favored 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 122.548 2.166 . . . . 0.0 112.192 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.439 ' O ' ' O ' ' A' ' 26' ' ' LEU . 64.7 t30 -173.32 -67.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.68 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.518 ' N ' ' CD2' ' A' ' 26' ' ' LEU . 3.6 mm? 58.16 141.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.238 0.542 . . . . 0.0 110.724 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.2 p -67.46 -38.42 84.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.507 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 55.5 m -87.18 93.98 9.53 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.436 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' A' ' 25' ' ' ASN . 93.3 m-20 -99.93 3.39 44.41 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.464 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -86.3 99.48 11.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.628 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 81.7 mmt-85 -92.87 -2.71 55.64 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.6 mt -63.06 -44.14 96.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.549 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -72.97 -37.04 67.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.675 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -79.23 -2.09 39.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.786 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.9 m -58.87 -44.04 91.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.485 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -65.88 -39.46 90.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.837 0.351 . . . . 0.0 110.608 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.89 -12.64 60.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.792 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -56.3 -25.08 47.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.454 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.406 ' CG1' ' N ' ' A' ' 40' ' ' ASP . 13.6 p -61.92 -41.9 92.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.423 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.406 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 97.7 m-20 -63.85 -35.91 82.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.581 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -61.56 -40.31 94.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.391 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.8 t -63.25 -43.28 98.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.375 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.8 t -60.39 -44.2 95.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.249 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -59.78 -43.13 94.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.503 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.4 HD11 HG22 ' A' ' 45' ' ' ILE . 96.6 mt -63.83 -43.36 97.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.978 0.418 . . . . 0.0 110.474 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 99.4 mtp -67.59 -36.23 80.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.652 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -59.88 -47.92 83.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.998 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.02 -26.54 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.76 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -62.06 -39.7 93.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.484 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.1 t -63.52 -42.71 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.615 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -75.64 -20.68 58.32 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.733 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -67.2 -48.03 69.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.94 0.4 . . . . 0.0 110.55 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.17 -28.77 40.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.748 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.56 -43.05 99.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.724 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -119.45 119.33 33.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.185 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -133.2 134.93 44.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.546 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -84.62 117.16 23.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.486 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.55 -40.97 93.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.553 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.9 tttp 56.5 85.16 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.558 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.478 ' H ' ' CD2' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -73.31 108.71 6.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.008 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' A' ' 60' ' ' LEU . 2.6 m 172.87 -39.67 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.264 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -141.2 -84.49 0.2 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.74 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 74.1 mt -74.62 50.68 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.538 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.531 ' C ' ' H ' ' A' ' 66' ' ' ARG . 40.1 t0 -62.83 -37.75 88.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.533 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 72.15 -21.06 0.23 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.573 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.531 ' H ' ' C ' ' A' ' 64' ' ' ASP . 79.8 mtp85 -64.46 -41.64 96.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.61 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.54 144.33 49.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.651 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.404 ' OD2' ' NE2' ' A' ' 71' ' ' GLN . 39.3 t0 59.89 47.5 9.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.026 0.441 . . . . 0.0 110.554 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.27 -10.56 24.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.407 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.8 tp -61.84 -43.11 99.5 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.443 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.404 ' NE2' ' OD2' ' A' ' 68' ' ' ASP . 88.5 mt-30 -60.98 -39.99 91.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.402 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.03 -40.7 98.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.589 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 68.76 25.58 75.06 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 75' ' ' SER . . . 56.36 94.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.697 0.284 . . . . 0.0 110.571 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 74' ' ' ALA . 95.8 p 51.0 172.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.392 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -103.25 -74.4 0.64 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.727 0.299 . . . . 0.0 110.432 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -154.43 -6.44 0.15 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.694 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -60.34 -16.4 34.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.538 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.44 ' HG1' ' N ' ' A' ' 80' ' ' SER . 61.9 p -58.37 -44.07 88.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.495 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.44 ' N ' ' HG1' ' A' ' 79' ' ' THR . 42.4 t -61.67 -44.03 97.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.6 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.65 -34.17 77.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.749 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.86 -36.32 72.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.562 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -61.42 -42.78 99.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.41 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.418 ' N ' ' CD1' ' A' ' 84' ' ' LEU . 10.5 mp -62.81 -41.83 99.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.921 0.391 . . . . 0.0 110.264 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.18 -41.9 98.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.673 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -57.09 -25.95 59.62 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.0 0.429 . . . . 0.0 110.925 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -53.1 -48.33 67.87 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.497 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -113.45 -33.38 5.92 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.766 0.317 . . . . 0.0 110.696 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 17.8 t90 -83.37 94.28 7.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.482 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.519 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 75.9 t-105 -89.13 43.35 1.14 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.569 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? 51.32 26.89 3.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.519 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 94' ' ' LYS . 51.8 t-20 -102.0 115.85 31.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.407 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 56.3 mt -63.4 -37.29 86.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.461 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.407 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 88.5 tttt -58.77 -41.27 86.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.412 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 64.8 mtt -63.73 -37.97 89.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.476 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 27.1 ttt -60.57 -41.64 95.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.49 -44.09 98.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.362 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.84 -42.89 97.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.418 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.21 -42.03 94.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.485 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -60.65 -37.26 93.18 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 73.5 t -62.14 -46.83 95.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.829 0.347 . . . . 0.0 110.582 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 56.2 mt -63.26 -48.18 88.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.235 0.54 . . . . 0.0 110.56 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 90.3 m -61.39 -36.16 79.51 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.578 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.55 -36.06 77.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.563 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.85 -43.2 97.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.622 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.84 -41.86 92.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.45 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.6 -37.98 76.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.529 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 94.9 mt -60.67 -41.91 89.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.867 0.365 . . . . 0.0 110.512 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 33.6 mm -56.42 -40.76 69.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.012 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.422 HD11 HG22 ' A' ' 110' ' ' ILE . 34.7 mm -61.83 -44.11 98.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.412 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 45.6 mm -62.9 -48.26 88.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 116' ' ' THR . 89.7 t -66.3 -43.73 91.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.266 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -60.37 -42.97 96.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.843 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -59.22 -44.37 92.3 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.735 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.3 m -85.36 -14.77 45.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.778 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 112' ' ' VAL . 11.6 m . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.999 -1.001 . . . . 0.0 111.026 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpp . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.3 p -66.11 -18.35 65.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.47 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.06 -37.86 88.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.548 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.1 m 42.35 90.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.636 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 6' ' ' ALA . . . -65.85 142.21 58.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.573 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 5' ' ' ALA . . . -59.92 -140.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.4 t -145.93 158.48 43.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.298 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 t -143.29 72.65 17.95 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.385 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.81 156.38 9.33 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.596 2.197 . . . . 0.0 112.147 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.66 155.14 69.84 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.617 2.212 . . . . 0.0 112.066 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.83 142.59 58.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.222 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -164.82 74.67 1.5 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.5 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -59.13 145.86 96.34 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.928 2.419 . . . . 0.0 111.964 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.57 144.36 55.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.241 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -143.64 -87.46 0.09 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 48.25 89.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.719 0.295 . . . . 0.0 110.436 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.88 -173.62 42.61 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.488 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 102.41 51.47 1.05 Allowed Glycine 0 N--CA 1.466 0.635 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 18' ' ' GLY . 22.4 Cg_endo -61.87 164.05 17.47 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 C-N-CA 122.607 2.205 . . . . 0.0 111.927 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -41.19 107.51 0.08 OUTLIER 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.339 2.026 . . . . 0.0 111.918 179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.446 ' N ' ' HD2' ' A' ' 22' ' ' PRO . . . -76.04 -63.34 0.63 Allowed Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.807 179.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 21' ' ' ALA . 15.0 Cg_endo -55.18 111.46 0.76 Allowed 'Trans proline' 0 C--N 1.318 -1.076 0 C-N-CA 122.31 2.007 . . . . 0.0 111.749 -178.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.514 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 31.9 Cg_exo -50.21 -42.35 47.18 Favored 'Trans proline' 0 N--CA 1.496 1.64 0 C-N-CA 122.121 1.88 . . . . 0.0 112.12 179.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 23' ' ' PRO . 31.3 Cg_exo -58.67 148.84 80.37 Favored 'Trans proline' 0 N--CA 1.489 1.249 0 C-N-CA 122.367 2.045 . . . . 0.0 112.183 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 55.61 79.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.841 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.4 mt -77.4 157.48 30.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.423 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.456 ' C ' ' H ' ' A' ' 29' ' ' ASN . 70.1 p -83.19 0.29 46.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.436 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 27' ' ' THR . 3.3 p 69.96 -6.68 1.04 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.598 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.456 ' H ' ' C ' ' A' ' 27' ' ' THR . 46.5 t30 52.63 52.25 14.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.675 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 29' ' ' ASN . 37.1 ttm180 60.82 133.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.497 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.564 ' C ' ' H ' ' A' ' 33' ' ' GLN . 95.5 mtt-85 -64.69 -37.15 86.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.697 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.4 mt -70.32 26.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.893 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.564 ' H ' ' C ' ' A' ' 31' ' ' ARG . 59.0 tt0 -63.59 -41.22 98.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.484 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -66.37 -33.5 75.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.709 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 83.1 m -61.4 -44.36 97.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.661 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -65.38 -31.52 72.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.683 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.08 -25.02 67.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.795 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -66.41 -42.51 87.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.776 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.9 m -81.49 -12.73 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.631 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -63.33 -37.95 89.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.547 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.58 -36.53 84.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.517 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.7 t -65.59 -42.49 93.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.567 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 77.5 t -60.47 -44.85 97.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.284 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -60.86 -44.18 97.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.573 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.94 -43.46 97.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-O 121.059 0.457 . . . . 0.0 110.372 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 49.0 ttp -65.24 -38.38 90.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.684 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.403 ' NH1' ' OD2' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -58.16 -47.71 82.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.057 -179.164 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.7 p -73.39 -26.27 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.747 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -61.97 -35.66 79.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.272 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.0 t -64.1 -42.4 95.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.403 ' OD2' ' NH1' ' A' ' 47' ' ' ARG . 90.1 m-20 -65.59 -12.72 55.61 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.904 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -66.0 -24.96 66.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.344 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.2 p -55.19 -28.61 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.478 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' ' 55' ' ' GLU . 89.0 mt -63.01 -41.65 99.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.707 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 54' ' ' LEU . 7.0 tm-20 41.85 95.21 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.572 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.494 ' NH1' HE21 ' A' ' 58' ' ' GLN . 2.2 mmp_? -80.73 123.49 28.24 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.626 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -95.42 4.17 53.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.654 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.494 HE21 ' NH1' ' A' ' 56' ' ' ARG . 78.2 mt-30 -61.74 138.85 58.36 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.665 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.0 -41.89 99.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.609 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.0 tp -158.18 94.78 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.764 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 78.1 p -64.41 -35.28 80.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.978 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -172.38 -79.58 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.33 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.2 tp -133.91 111.28 10.33 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.591 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.508 ' CG ' ' H ' ' A' ' 65' ' ' ASP . 30.1 t70 -161.83 179.45 8.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.546 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.508 ' H ' ' CG ' ' A' ' 64' ' ' ASP . 66.7 t0 57.26 -122.89 1.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.656 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.552 ' C ' ' H ' ' A' ' 68' ' ' ASP . 99.7 mtt180 -63.1 -41.61 99.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.708 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 63.8 -5.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.809 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.552 ' H ' ' C ' ' A' ' 66' ' ' ARG . 94.3 m-20 -90.87 -1.34 57.85 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.494 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.22 87.37 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.397 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 tt -119.24 116.26 25.9 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.819 0.343 . . . . 0.0 110.261 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -64.74 130.54 43.92 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.448 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -155.91 16.82 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.513 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 167.79 -169.43 41.27 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.85 -40.17 94.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.735 0.302 . . . . 0.0 110.683 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.0 m -152.67 151.51 30.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.294 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.598 ' C ' ' H ' ' A' ' 78' ' ' GLU . 2.6 pm0 -138.32 152.28 48.34 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.259 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 56.63 -0.06 0.06 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.703 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.598 ' H ' ' C ' ' A' ' 76' ' ' GLN . 43.9 tp10 -66.17 -42.56 88.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.475 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.8 p -66.33 -35.65 80.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.607 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.7 m -62.03 -38.14 87.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.692 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.21 89.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.647 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.71 -41.53 81.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.384 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -63.03 -42.71 99.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.462 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.97 -42.08 97.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.707 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -59.78 -34.26 72.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.607 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -58.29 -39.73 80.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.654 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.91 -42.9 98.97 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.787 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -64.08 -41.19 97.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.788 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 36.4 t-105 -77.57 -53.35 7.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.929 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.0 t-105 -65.44 -40.79 93.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.787 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 67.4 mttm 56.11 -123.4 1.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.44 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 61.6 t30 61.53 34.44 17.93 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.764 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.407 ' N ' ' CD1' ' A' ' 93' ' ' LEU . 10.7 mp -67.29 -33.21 74.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.444 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -59.01 -40.13 83.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.523 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 36.7 ttm -61.69 -41.05 97.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.48 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 66.2 mtt -63.68 -41.29 98.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.533 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.416 HD13 HG21 ' A' ' 97' ' ' ILE . 97.0 mt -64.27 -43.86 97.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.468 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.62 -43.18 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.21 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.416 ' O ' ' SG ' ' A' ' 103' ' ' CYS . 53.8 tp -61.59 -41.92 98.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.53 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -59.01 -41.71 96.57 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.45 -46.91 93.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.798 0.332 . . . . 0.0 110.591 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 72.8 mt -62.21 -45.36 98.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.299 0.571 . . . . 0.0 110.381 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 99' ' ' LEU . 68.7 m -57.28 -31.6 65.78 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.27 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.6 -39.27 83.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.87 -45.42 97.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.521 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.54 -42.18 94.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.426 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 5.4 tt -56.3 -39.02 72.05 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.914 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 94.4 mt -61.06 -41.71 90.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.391 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 31.8 mm -53.93 -37.53 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.512 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.11 -45.2 99.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.433 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.495 ' N ' ' CD1' ' A' ' 111' ' ' ILE . 1.4 mp -66.26 -44.54 91.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.825 0.345 . . . . 0.0 110.334 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 91.0 t -66.05 -43.53 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.2 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.478 ' O ' ' CG2' ' A' ' 116' ' ' THR . 92.1 t80 -60.44 -43.32 96.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.715 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -63.07 -42.87 99.76 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.779 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.3 m -73.47 -15.09 61.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.012 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.478 ' CG2' ' O ' ' A' ' 113' ' ' TYR . 8.6 t . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.899 -1.048 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptm . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m 46.66 -109.26 0.22 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.451 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.74 136.52 52.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.545 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -42.37 80.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.468 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -169.81 -6.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.504 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.03 87.85 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.589 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.4 m -64.22 -45.36 88.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.3 m -131.38 151.22 78.39 Favored Pre-proline 0 CA--C 1.531 0.218 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.671 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -37.18 155.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.635 2.224 . . . . 0.0 112.327 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.78 151.84 78.24 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.592 2.195 . . . . 0.0 112.016 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.44 10.05 2.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.528 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -164.97 72.84 1.47 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.078 0.466 . . . . 0.0 110.494 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -58.99 143.73 99.64 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.764 2.309 . . . . 0.0 112.073 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.21 -24.12 67.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.631 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 17' ' ' GLY . . . 93.09 8.6 61.45 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 53.3 -86.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 110.569 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 15' ' ' GLY . . . -61.88 -73.87 0.46 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 17' ' ' GLY . . . 53.54 168.34 0.03 OUTLIER Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.24 114.35 3.2 Favored 'Trans proline' 0 C--N 1.311 -1.421 0 C-N-CA 122.94 2.427 . . . . 0.0 111.866 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -50.57 -39.07 55.88 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 122.571 2.181 . . . . 0.0 112.034 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 178.7 159.13 0.65 Allowed Pre-proline 0 N--CA 1.453 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.618 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.471 ' O ' ' O ' ' A' ' 23' ' ' PRO . 31.7 Cg_endo -64.68 164.22 24.77 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.568 2.178 . . . . 0.0 112.259 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.471 ' O ' ' O ' ' A' ' 22' ' ' PRO . 52.3 Cg_exo -44.57 -178.95 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.643 2.229 . . . . 0.0 112.27 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -61.75 146.68 96.48 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.582 2.188 . . . . 0.0 112.142 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.416 ' O ' ' OD1' ' A' ' 25' ' ' ASN . 50.0 p-10 -82.56 86.07 6.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.617 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.436 ' O ' ' OG1' ' A' ' 27' ' ' THR . 87.2 mt -63.0 -41.97 99.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.67 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.499 ' HG1' ' H ' ' A' ' 28' ' ' SER . 69.0 p 51.55 -124.63 2.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.599 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.499 ' H ' ' HG1' ' A' ' 27' ' ' THR . 22.3 p -74.52 157.14 36.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.45 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -102.44 132.95 48.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.401 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -136.68 144.24 43.83 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.61 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.52 ' C ' ' H ' ' A' ' 33' ' ' GLN . 87.2 mtt-85 -65.01 -37.68 88.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.592 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.1 mt -74.77 27.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.686 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.52 ' H ' ' C ' ' A' ' 31' ' ' ARG . 57.5 tt0 -55.09 -40.61 70.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.545 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -61.21 -41.45 96.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.664 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.6 m -63.0 -44.19 96.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.704 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -57.06 -11.05 1.33 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.643 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.66 -41.46 81.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.532 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -65.55 -38.6 90.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.527 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.03 -22.42 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.649 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -62.62 -32.23 73.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.501 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -78.48 -34.39 47.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.697 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.0 t -61.92 -46.86 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.7 m -59.61 -41.71 85.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.459 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -62.13 -42.59 99.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.379 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.89 -43.23 97.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.655 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 48.1 ttp -64.16 -39.31 93.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.417 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -58.24 -43.89 88.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.601 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 80.4 t -61.73 -43.94 97.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.543 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -60.32 -40.7 91.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.163 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.91 -42.35 88.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.162 0.506 . . . . 0.0 110.665 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -68.41 -20.95 64.69 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.486 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -66.98 -48.86 67.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.657 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 56' ' ' ARG . 7.6 p -74.94 -29.32 22.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.747 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.38 -43.89 97.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.687 -179.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -67.78 -46.78 71.02 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.232 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 53' ' ' VAL . 93.8 mtt180 -79.09 141.99 36.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.569 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 57' ' ' ASP . 53.6 p-10 -71.11 146.95 48.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.569 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -60.97 113.32 2.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.492 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.33 -42.23 99.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.664 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.6 mt -65.55 -173.34 0.15 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.464 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.2 t 55.23 81.57 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.441 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -174.01 -29.25 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.503 ' H ' ' CD2' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -63.93 -40.57 96.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.245 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -65.11 -33.31 75.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.407 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.549 ' CG ' ' H ' ' A' ' 66' ' ' ARG . 24.6 t0 62.57 -168.54 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.53 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.549 ' H ' ' CG ' ' A' ' 65' ' ' ASP . 57.1 ttp180 -66.08 -19.57 65.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.618 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.537 ' C ' ' H ' ' A' ' 69' ' ' ALA . . . -61.12 -33.06 72.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.41 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 55.72 5.1 0.13 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.571 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.537 ' H ' ' C ' ' A' ' 67' ' ' ALA . . . 52.01 89.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.83 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 4.0 mm? -77.79 143.13 38.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.726 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 55.5 -87.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.33 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 44.89 43.2 6.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -71.77 -91.12 0.1 OUTLIER Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.2 88.4 7.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.483 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 81.1 p -164.72 50.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.744 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.406 ' O ' ' OG1' ' A' ' 79' ' ' THR . 99.4 mm-40 -83.0 -4.5 58.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.599 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.443 ' O ' ' OG ' ' A' ' 80' ' ' SER . 88.3 t80 -60.04 -46.07 90.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.643 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -69.61 -35.19 75.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.663 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 76' ' ' GLN . 73.1 p -65.68 -33.39 75.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.694 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' A' ' 77' ' ' PHE . 95.1 p -59.99 -34.34 73.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.569 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.31 -36.1 82.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.614 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.68 -35.76 77.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.582 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -59.14 -45.75 90.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.596 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.417 ' CD1' ' N ' ' A' ' 84' ' ' LEU . 10.6 mp -63.02 -41.83 99.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.551 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.39 -40.36 97.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.38 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -59.84 -45.1 93.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -64.67 -40.44 95.42 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.807 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -60.7 -45.05 95.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.35 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.523 ' O ' ' CG ' ' A' ' 89' ' ' TRP . 42.1 p-90 -147.28 119.13 8.1 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.451 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.418 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 67.2 t-105 -177.1 -94.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.484 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.504 ' C ' ' H ' ' A' ' 93' ' ' LEU . 25.4 ttpp -63.61 -33.26 75.23 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.518 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -74.8 18.45 0.17 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.522 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.504 ' H ' ' C ' ' A' ' 91' ' ' LYS . 48.7 tp -63.57 -43.01 98.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.675 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -59.58 -34.11 72.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.347 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 97.5 mmm -61.97 -32.42 72.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.45 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 60.7 mtt -65.92 -41.32 91.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.676 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.52 -52.28 63.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.763 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 13.9 tt -69.34 -40.67 80.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.388 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.68 -41.56 99.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.504 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.45 ' O ' ' SG ' ' A' ' 103' ' ' CYS . . . -60.13 -40.38 97.1 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.58 -47.29 93.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.334 . . . . 0.0 110.661 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 60.9 mt -62.36 -49.12 85.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.144 0.497 . . . . 0.0 110.777 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.578 ' SG ' ' N ' ' A' ' 104' ' ' ALA . 6.1 p -60.37 -42.61 96.17 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.691 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.578 ' N ' ' SG ' ' A' ' 103' ' ' CYS . . . -53.12 -37.31 61.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.52 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.17 -42.79 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.425 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.05 -41.49 89.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.404 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.5 mp -59.37 -37.86 79.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.704 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 92.8 mt -61.62 -43.22 96.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.121 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.8 mm -63.54 -43.44 98.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.472 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.408 HG22 HD11 ' A' ' 110' ' ' ILE . 97.0 mt -63.1 -43.45 98.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.254 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.44 -44.01 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.696 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.32 -43.43 87.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.336 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -60.45 -42.59 96.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.769 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -59.16 -44.57 92.13 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.579 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.7 t -62.77 -42.24 99.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.594 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--N 1.326 -0.43 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.847 -179.946 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 ptp . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m -60.48 -41.79 94.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.529 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.37 142.1 57.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.5 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.6 p -87.93 134.87 33.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.507 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.72 150.99 26.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.472 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -159.51 45.79 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.564 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.2 m -120.78 127.95 52.44 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.053 0.454 . . . . 0.0 110.564 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.441 ' O ' ' O ' ' A' ' 9' ' ' PRO . 3.1 m -71.1 149.84 94.63 Favored Pre-proline 0 N--CA 1.45 -0.462 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.62 -179.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 8' ' ' VAL . 74.0 Cg_exo -38.16 165.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.804 2.336 . . . . 0.0 112.546 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 11' ' ' ALA . 52.2 Cg_exo -50.68 -39.34 56.79 Favored 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 122.482 2.121 . . . . 0.0 112.177 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 10' ' ' PRO . . . 59.52 145.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.962 0.41 . . . . 0.0 110.578 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -161.58 73.39 2.48 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.45 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -59.98 145.41 98.42 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.84 2.36 . . . . 0.0 111.867 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.7 142.8 46.26 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.483 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.35 136.51 3.7 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -84.55 142.24 30.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.602 0.239 . . . . 0.0 110.362 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -113.2 -169.43 17.3 Favored Glycine 0 N--CA 1.467 0.72 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.06 165.71 15.61 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.31 111.79 0.97 Allowed 'Trans proline' 0 C--N 1.313 -1.293 0 C-N-CA 122.887 2.391 . . . . 0.0 111.794 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -50.47 117.64 3.39 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 122.367 2.044 . . . . 0.0 112.205 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 44.39 79.42 0.34 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -80.23 161.97 22.94 Favored 'Trans proline' 0 C--N 1.313 -1.338 0 C-N-CA 122.67 2.247 . . . . 0.0 112.167 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -40.62 155.83 0.05 OUTLIER 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 122.633 2.222 . . . . 0.0 112.288 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.68 -19.68 53.52 Favored 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.741 2.294 . . . . 0.0 111.922 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -67.66 148.46 51.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.518 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.8 mt -86.44 -6.55 58.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.42 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.5 m -62.59 -45.71 91.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.486 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.2 p -75.56 162.04 28.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.545 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 54.9 48.26 20.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.623 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -61.8 -16.96 54.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.46 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -56.45 -21.93 28.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.36 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 74.3 mt -63.39 -39.24 93.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.684 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.443 ' N ' ' OE1' ' A' ' 38' ' ' GLN . 72.9 tp60 -57.53 -30.19 64.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.426 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -64.41 -37.09 86.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.683 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -82.06 171.18 14.67 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.014 0.435 . . . . 0.0 110.376 -179.388 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.412 ' H ' HG23 ' A' ' 35' ' ' THR . 14.3 pt20 -95.17 -11.04 28.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.777 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.97 -36.49 84.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.043 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.443 ' OE1' ' N ' ' A' ' 33' ' ' GLN . 55.5 tt0 -60.43 -53.07 61.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.4 m -69.61 -26.01 29.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.718 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 40' ' ' ASP . 66.8 t0 -63.38 -33.82 76.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.629 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -51.57 -19.9 1.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.617 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 p -57.46 -27.59 29.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.477 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' A' ' 44' ' ' ASP . 7.4 p -60.26 -45.12 96.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.098 0.475 . . . . 0.0 110.638 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.493 ' N ' ' CG1' ' A' ' 43' ' ' VAL . 48.8 t0 -61.97 -36.35 81.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.4 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.6 mm -62.37 -43.28 97.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.595 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 83.9 mmm -61.76 -39.25 90.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.798 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -61.01 -41.07 95.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.556 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.96 -42.68 96.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -59.35 -40.31 85.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.292 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.0 t -63.83 -39.78 86.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.719 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.85 -38.6 82.59 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.71 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.14 -35.27 80.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.945 0.403 . . . . 0.0 110.434 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 57' ' ' ASP . 91.0 t -63.36 -40.6 89.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.636 -179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 71.4 mt -72.22 -6.8 45.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -95.48 -91.37 0.22 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.676 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 89.2 mtm-85 -56.48 -100.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.844 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 53' ' ' VAL . 26.5 t0 -78.46 114.92 17.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.423 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -62.81 -45.88 90.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.665 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -172.41 -94.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.549 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.09 -41.59 99.44 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.529 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t 169.11 -78.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.536 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -164.74 -97.24 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.488 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.525 ' C ' ' H ' ' A' ' 65' ' ' ASP . 57.2 mt -62.73 -39.7 94.9 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.492 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.425 ' C ' ' H ' ' A' ' 66' ' ' ARG . 45.7 t0 58.14 3.57 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.647 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.525 ' H ' ' C ' ' A' ' 63' ' ' LEU . 97.9 m-20 53.04 12.65 0.31 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.639 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.425 ' H ' ' C ' ' A' ' 64' ' ' ASP . 76.7 mmt-85 -132.8 -171.85 2.77 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.745 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 63.05 121.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.558 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.513 ' C ' ' H ' ' A' ' 70' ' ' LEU . 92.6 m-20 -62.39 -40.98 98.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.647 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . 75.78 -29.68 0.19 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.403 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.513 ' H ' ' C ' ' A' ' 68' ' ' ASP . 57.8 mt -62.85 -39.53 94.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.675 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 42.5 -95.51 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.457 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . -75.61 127.66 33.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.471 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.39 -37.69 94.8 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.84 148.5 13.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.726 0.298 . . . . 0.0 110.504 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.2 p -67.54 159.21 30.22 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.508 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.612 ' C ' ' H ' ' A' ' 78' ' ' GLU . 70.6 tp60 -144.86 147.31 32.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.15 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.7 t80 67.1 -19.34 0.12 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.712 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.612 ' H ' ' C ' ' A' ' 76' ' ' GLN . 80.7 mm-40 -65.26 -21.34 66.72 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.497 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 31.1 p -62.59 -41.63 99.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.593 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.4 t -60.98 -43.74 98.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.554 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.82 -37.5 87.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.759 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.78 -32.64 70.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.358 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -61.56 -45.07 95.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.556 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.414 ' N ' ' CD1' ' A' ' 84' ' ' LEU . 10.4 mp -63.02 -42.28 99.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.395 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -62.54 -43.67 98.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.725 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -64.7 -38.94 92.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.541 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.28 -43.28 99.18 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.901 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.441 ' O ' ' O ' ' A' ' 89' ' ' TRP . 88.8 t80 -81.75 129.32 34.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.339 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.441 ' O ' ' O ' ' A' ' 88' ' ' TYR . 63.3 t-105 47.69 100.83 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -82.66 137.01 34.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.418 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.29 142.88 27.91 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.409 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -93.12 -4.03 52.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.527 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.8 mt -62.91 -40.74 98.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.388 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -62.0 -40.34 95.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.569 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 4.0 mmt -63.33 -36.13 82.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.451 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 37.8 tpp -59.48 -39.18 82.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.3 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 35.4 mm -62.52 -43.58 98.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.409 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 35.4 mm -63.63 -43.68 98.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.444 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.34 -39.6 91.17 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.644 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -59.88 -33.19 77.4 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 91.4 t -61.91 -47.64 92.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.92 0.391 . . . . 0.0 110.622 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.5 ' N ' ' CD1' ' A' ' 102' ' ' ILE . 1.5 mp -62.67 -45.59 98.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.439 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.8 p -60.68 -30.88 70.2 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.579 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.27 -46.34 76.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.434 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.457 ' N ' ' CD1' ' A' ' 105' ' ' ILE . 1.7 mp -63.02 -43.84 99.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.4 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.425 HD11 HG21 ' A' ' 106' ' ' ILE . 27.3 mm -58.16 -30.86 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.26 -179.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 86.8 mt -83.13 -44.37 15.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.807 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.14 -44.05 97.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.756 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 20.6 tt -63.18 -39.68 86.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.59 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.9 mm -62.73 -44.35 99.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.463 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.9 mm -65.49 -43.83 94.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.479 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 92.2 t -70.79 -26.0 27.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.597 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.08 -44.92 94.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.794 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -62.81 -36.96 84.89 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.748 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.9 t -71.07 -20.51 62.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.714 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.628 -179.833 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.3 ttm . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m 53.26 86.21 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.528 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -156.52 151.8 26.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.513 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.0 p -82.09 167.41 18.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.445 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.35 151.64 29.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.963 0.411 . . . . 0.0 110.35 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.58 166.44 17.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.2 t -146.41 155.53 42.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.259 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.6 t -145.46 72.13 14.22 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.303 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -78.65 165.33 24.98 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.245 1.963 . . . . 0.0 112.357 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -51.0 139.37 41.91 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.366 2.044 . . . . 0.0 112.086 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.07 -142.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.458 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.37 73.48 3.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.413 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -58.95 144.59 99.04 Favored 'Trans proline' 0 C--N 1.307 -1.639 0 C-N-CA 122.916 2.411 . . . . 0.0 111.967 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.82 19.3 2.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.35 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.46 109.38 2.7 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -120.72 139.35 53.19 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.941 0.4 . . . . 0.0 110.461 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.53 -170.48 42.24 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -156.18 73.36 0.24 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -53.49 156.11 11.8 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.661 2.241 . . . . 0.0 112.04 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.94 146.41 77.55 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.67 2.247 . . . . 0.0 111.9 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 175.67 71.36 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.271 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.0 157.11 17.68 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.635 2.223 . . . . 0.0 112.114 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.82 162.08 41.13 Favored 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.458 2.105 . . . . 0.0 112.013 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -63.46 -24.52 70.77 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.877 2.384 . . . . 0.0 111.901 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.4 t30 58.11 52.22 7.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.728 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.09 -40.66 98.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.555 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.9 m 57.9 157.11 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.645 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.8 t -74.92 -4.14 36.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.58 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 59.94 82.27 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.542 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -67.04 143.81 56.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.972 0.415 . . . . 0.0 110.216 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 92.5 mtm-85 -93.55 2.86 56.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.552 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.424 ' O ' ' OG1' ' A' ' 35' ' ' THR . 55.1 mt -63.0 -40.92 99.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.582 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -62.17 -41.17 98.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.537 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.441 ' O ' ' O ' ' A' ' 35' ' ' THR . 87.1 mt-30 -64.36 -40.4 95.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.672 ' CG2' ' H ' ' A' ' 36' ' ' GLN . 12.5 m 43.51 -172.53 0.01 OUTLIER 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.49 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.672 ' H ' ' CG2' ' A' ' 35' ' ' THR . 98.7 mm-40 -82.26 -11.28 58.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.59 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.1 -26.19 36.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.456 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -61.56 -41.87 98.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.437 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.9 t -63.71 -45.19 98.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.49 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -64.93 -35.37 80.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -57.7 -33.95 68.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.415 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.3 t -63.9 -43.24 97.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.523 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 92.1 t -60.03 -43.5 92.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.329 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.37 -41.82 97.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.502 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.412 HG21 HD12 ' A' ' 45' ' ' ILE . 95.0 mt -63.9 -44.05 97.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.548 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 95.9 mmm -65.7 -38.13 88.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.685 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -60.49 -43.09 97.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.401 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.15 -43.74 98.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.454 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 27.5 t-20 -59.18 -40.56 86.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.182 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.402 ' C ' ' H ' ' A' ' 52' ' ' LYS . 78.8 t -66.08 -41.94 90.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.8 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.54 -9.15 1.49 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.818 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 49' ' ' ASN . 30.4 mmtp -62.87 -30.91 71.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.366 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.0 p -60.09 -32.28 49.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.998 0.427 . . . . 0.0 110.548 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.3 tp -62.83 -39.54 94.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.954 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -40.07 -85.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.629 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.426 ' O ' ' OD1' ' A' ' 57' ' ' ASP . 30.5 mmt180 -72.64 -92.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.594 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 56' ' ' ARG . 72.1 m-20 -154.28 176.44 12.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.357 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -54.41 158.24 2.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.644 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -62.55 -41.23 98.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.657 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -159.7 -0.45 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.331 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.6 m -89.63 47.46 1.47 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.903 0.382 . . . . 0.0 110.609 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.43 -37.52 87.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.695 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.1 mt -87.43 25.56 1.4 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.565 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 37.4 p-10 -61.99 -38.91 90.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.594 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 64' ' ' ASP . 56.5 t0 -66.89 -11.52 56.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.486 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 60.28 69.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.529 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.26 143.04 57.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.597 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.81 -42.72 99.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.553 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 72.84 -4.78 2.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.62 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 75.0 mt -86.04 82.45 8.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.377 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -173.64 -52.68 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.671 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.12 -38.72 92.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.653 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 55.71 82.88 0.05 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 61.83 134.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.852 0.358 . . . . 0.0 110.551 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.565 ' C ' ' H ' ' A' ' 77' ' ' PHE . 18.6 m -158.74 159.9 35.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.638 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.549 ' C ' ' H ' ' A' ' 78' ' ' GLU . 44.6 tt0 57.7 1.14 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.265 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.565 ' H ' ' C ' ' A' ' 75' ' ' SER . 97.0 m-85 56.23 3.8 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.649 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.549 ' H ' ' C ' ' A' ' 76' ' ' GLN . 17.2 pt-20 -51.64 -18.89 1.31 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.512 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 31.3 p -65.3 -39.33 92.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.0 m -60.91 -42.51 98.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.649 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.97 -25.89 68.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.667 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.54 -35.44 76.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.389 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -61.0 -47.09 88.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.425 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 56.0 mt -64.04 -40.19 95.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.469 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -63.96 -36.8 85.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.779 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -58.79 -33.83 70.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.859 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 63.9 mttp -59.56 -42.7 93.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.37 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -74.81 -44.38 49.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.77 0.319 . . . . 0.0 110.718 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -66.21 -50.76 62.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.074 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -60.42 -44.24 95.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.289 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 87' ' ' LYS . 70.2 mmtt -77.05 151.84 35.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.498 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -90.51 10.8 23.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.371 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.76 -41.14 99.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.287 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -47.69 -26.55 1.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.782 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 96.9 mmm -63.34 -41.9 98.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -64.3 -41.39 96.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.53 -44.11 98.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.439 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.9 mm -63.57 -42.95 97.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.324 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.28 -41.36 96.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.427 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.3 -36.15 92.02 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 73.9 t -62.2 -46.48 96.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.764 0.316 . . . . 0.0 110.566 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 59.7 mt -62.7 -48.65 87.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.129 0.49 . . . . 0.0 110.7 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 98.8 m -62.54 -35.83 80.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.678 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.52 -36.64 78.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.528 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.55 -42.56 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.615 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.427 HG21 HD12 ' A' ' 106' ' ' ILE . 31.1 mm -59.23 -38.96 77.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.057 -179.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.3 tp -58.17 -42.44 86.02 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.46 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.9 mm -63.64 -43.85 98.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.803 0.335 . . . . 0.0 110.402 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.41 -43.66 98.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.324 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.408 HD11 HG22 ' A' ' 110' ' ' ILE . 97.6 mt -63.09 -43.41 98.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.397 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.9 mm -63.82 -44.14 98.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.484 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 70.1 t -67.41 -43.15 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.325 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -59.62 -44.75 93.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.749 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -60.67 -45.48 93.96 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.694 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 116' ' ' THR . 86.6 p -79.67 -8.81 59.45 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.846 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 115' ' ' SER . 4.3 t . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.899 -1.048 . . . . 0.0 111.586 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.1 ttp . . . . . 0 N--CA 1.492 1.65 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 t -66.84 139.8 57.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.521 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.75 142.85 57.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.393 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.3 128.55 53.52 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.358 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.82 -107.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.456 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -156.94 152.15 26.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.176 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 97.9 m -124.37 128.0 48.42 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.371 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.6 t -80.9 119.17 75.32 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.716 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -75.47 166.18 29.13 Favored 'Trans proline' 0 N--CA 1.488 1.189 0 C-N-CA 122.042 1.828 . . . . 0.0 112.509 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.12 140.42 50.66 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 122.293 1.995 . . . . 0.0 112.112 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.19 90.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.443 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 46.94 57.53 17.39 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.593 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.77 154.96 63.47 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.702 2.268 . . . . 0.0 112.089 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 61.18 116.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.639 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -171.44 171.98 44.29 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -154.51 119.73 5.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.798 0.332 . . . . 0.0 110.367 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.99 174.12 50.95 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 43.69 73.67 0.24 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -53.63 156.83 10.83 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.638 2.225 . . . . 0.0 112.098 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -69.48 158.08 58.61 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.666 2.244 . . . . 0.0 111.928 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 66.87 73.24 0.39 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.457 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -44.72 106.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.306 2.004 . . . . 0.0 111.544 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.505 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 32.2 Cg_exo -52.15 -44.21 47.58 Favored 'Trans proline' 0 N--CA 1.491 1.363 0 C-N-CA 122.349 2.032 . . . . 0.0 112.163 178.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 23' ' ' PRO . 61.1 Cg_endo -79.59 -10.64 14.46 Favored 'Trans proline' 0 N--CA 1.489 1.207 0 C-N-CA 122.347 2.031 . . . . 0.0 112.233 -179.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 24' ' ' PRO . 60.5 t-20 48.85 97.78 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.523 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.2 -41.03 99.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.434 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.0 m -78.49 122.71 26.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.244 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.9 m -99.01 -176.94 3.47 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.343 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.515 ' C ' ' H ' ' A' ' 31' ' ' ARG . 99.4 m-20 -86.5 30.9 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.522 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -70.23 40.92 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.655 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.537 ' C ' ' H ' ' A' ' 33' ' ' GLN . 89.4 mtm180 -85.52 6.52 26.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.707 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.1 mt -73.36 29.51 0.07 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.639 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.537 ' H ' ' C ' ' A' ' 31' ' ' ARG . 83.9 mt-30 -61.13 -30.93 70.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.233 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.594 ' O ' ' N ' ' A' ' 36' ' ' GLN . 84.0 mt-30 -60.92 -40.35 92.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.952 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.415 ' C ' ' N ' ' A' ' 37' ' ' ALA . 20.0 m 56.33 -70.37 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.185 0 O-C-N 123.617 0.573 . . . . 0.0 110.777 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.594 ' N ' ' O ' ' A' ' 34' ' ' GLN . 88.9 mt-30 -50.45 -15.87 0.3 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.984 0.421 . . . . 0.0 110.326 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 35' ' ' THR . . . -68.14 -29.43 68.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.514 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -65.33 -53.4 44.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.002 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.1 p -67.06 -25.87 35.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.56 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -63.16 -35.97 82.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.668 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -57.01 -24.25 52.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.647 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.0 t -61.05 -22.18 26.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.512 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.68 -43.65 97.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.555 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -57.84 -42.43 84.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.3 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.495 ' N ' ' CD1' ' A' ' 45' ' ' ILE . 1.9 mp -63.32 -43.39 98.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.535 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 83.7 mtp -61.42 -39.58 91.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.422 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.65 -39.55 94.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.599 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.9 t -64.05 -40.47 89.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.505 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.453 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 47.7 t-20 -56.55 -39.96 74.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.426 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 84.7 t -64.61 -39.16 84.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.15 0.5 . . . . 0.0 110.591 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -61.7 -9.29 5.98 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.886 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 49' ' ' ASN . 30.0 mmtp -63.98 -17.63 63.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.011 0.434 . . . . 0.0 110.436 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.5 m -64.12 -44.2 97.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.553 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 63.2 tp -62.89 -43.44 98.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.541 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -163.1 138.03 6.49 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.728 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -65.86 -40.98 92.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.708 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 49.78 54.45 11.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.621 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -55.96 115.39 2.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.618 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.583 ' C ' ' H ' ' A' ' 61' ' ' SER . 44.4 mmtm -63.89 -43.99 94.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.539 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 tp 69.0 -18.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.789 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.583 ' H ' ' C ' ' A' ' 59' ' ' LYS . 58.7 m -61.48 -38.35 86.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.718 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -57.15 -46.57 82.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.788 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.7 mt -63.42 -41.62 98.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.511 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -73.1 143.33 47.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.32 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 66' ' ' ARG . 50.1 p30 -140.67 -123.08 0.11 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.43 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.52 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 84.8 mtt85 -62.78 -36.81 84.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.458 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.23 141.78 45.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.417 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.0 p-10 -154.45 45.54 0.55 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.625 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.03 53.77 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.608 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.52 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 3.7 mm? -81.82 131.75 35.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.056 0.455 . . . . 0.0 110.586 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -62.72 -40.66 97.88 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.471 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -165.32 -7.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.29 7.1 88.7 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 43.5 42.43 3.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.75 0.309 . . . . 0.0 110.515 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 42.3 t -63.89 132.54 51.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.478 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.458 ' O ' ' OG1' ' A' ' 79' ' ' THR . 87.4 mt-30 -102.75 -18.62 15.07 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.542 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -67.69 -37.67 82.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.928 0.394 . . . . 0.0 110.671 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -55.64 -20.84 15.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.737 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 76' ' ' GLN . 71.6 p -62.08 -44.77 95.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.625 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.5 m -61.96 -43.45 98.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.703 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.42 -36.62 84.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.739 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.55 -36.71 69.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.403 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -62.03 -48.27 81.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.866 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 88' ' ' TYR . 10.5 mp -66.39 -39.5 89.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.278 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -60.92 -29.52 69.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.583 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -58.31 -44.52 88.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.756 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.508 ' C ' ' H ' ' A' ' 89' ' ' TRP . 43.6 mmtm -101.43 -49.85 3.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.665 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.52 ' O ' ' CD2' ' A' ' 88' ' ' TYR . 63.8 t80 50.92 10.54 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.544 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.508 ' H ' ' C ' ' A' ' 87' ' ' LYS . 6.8 t90 -152.3 -68.52 0.16 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.637 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.48 ' O ' ' O ' ' A' ' 91' ' ' LYS . 94.5 m95 -60.47 -49.15 78.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.675 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.48 ' O ' ' O ' ' A' ' 90' ' ' TRP . 10.0 mtpm? 49.1 106.76 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 121.051 0.453 . . . . 0.0 110.806 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 10.3 p-10 -63.2 -22.5 66.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.704 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.25 -31.08 71.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.471 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -57.25 -41.88 80.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.512 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 70.0 mtm -64.74 -40.0 94.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.566 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 91.2 mtp -63.82 -41.41 97.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.506 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.77 -43.63 98.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.401 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.19 -42.27 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.215 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 48.5 tp -59.31 -40.45 86.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.462 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.513 ' O ' ' SG ' ' A' ' 103' ' ' CYS . . . -60.92 -33.47 83.7 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.92 -43.92 96.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.826 0.346 . . . . 0.0 110.736 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 15.2 mm -63.64 -44.86 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.476 0.655 . . . . 0.0 110.662 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.576 ' SG ' ' N ' ' A' ' 104' ' ' ALA . 8.5 p -63.35 -44.06 95.93 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.554 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.576 ' N ' ' SG ' ' A' ' 103' ' ' CYS . . . -53.05 -36.27 60.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.705 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.11 -42.02 94.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.216 0.531 . . . . 0.0 110.271 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.46 -41.93 94.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.14 -47.9 83.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.729 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 22.1 pt -65.17 -38.63 83.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.338 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 74.5 mt -63.13 -43.59 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.481 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.22 -42.9 98.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.332 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.39 -44.24 99.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.495 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.53 -43.05 87.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.204 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -60.28 -41.45 93.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.791 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -59.9 -44.48 94.23 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.72 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.3 m -69.02 -34.31 75.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.566 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.6 m . . . . . 0 C--N 1.323 -0.576 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.687 -179.829 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.403 ' H ' ' H ' ' A' ' 2' ' ' SER . 9.4 ptt? . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 3' ' ' ALA . 61.2 m -60.04 -42.34 94.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 2' ' ' SER . . . -59.52 -144.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.45 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 62.1 p -135.87 156.8 48.23 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.574 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.87 142.33 53.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.478 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -157.17 132.44 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.371 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 95.4 m -127.01 129.47 48.14 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.185 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.2 m -60.53 150.85 72.75 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.476 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.11 167.38 18.26 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.178 1.918 . . . . 0.0 112.402 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -51.95 140.97 47.82 Favored 'Trans proline' 0 N--CA 1.498 1.755 0 C-N-CA 122.17 1.913 . . . . 0.0 112.038 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.84 88.9 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.393 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.415 ' CB ' ' CD ' ' A' ' 13' ' ' PRO . . . 60.56 178.49 0.04 OUTLIER Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.619 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 12' ' ' ALA . 39.4 Cg_exo -60.3 144.07 99.5 Favored 'Trans proline' 0 N--CA 1.5 1.872 0 C-N-CA 122.454 2.103 . . . . 0.0 111.959 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.72 141.17 48.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.066 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.27 98.58 2.28 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -154.69 139.25 16.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.784 0.326 . . . . 0.0 110.32 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 161.13 -174.57 37.74 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.58 73.28 0.1 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.464 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 24.1 Cg_exo -60.61 -173.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.742 2.295 . . . . 0.0 111.972 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 19' ' ' PRO . 28.0 Cg_exo -61.49 146.65 96.85 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 C-N-CA 122.711 2.274 . . . . 0.0 111.761 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.43 ' N ' ' CD ' ' A' ' 22' ' ' PRO . . . -159.83 54.9 0.67 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.182 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 38.4 Cg_endo -67.46 161.3 43.93 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 122.642 2.228 . . . . 0.0 112.101 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.9 119.65 6.69 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.407 2.072 . . . . 0.0 111.73 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -49.33 -39.36 43.66 Favored 'Trans proline' 0 N--CA 1.5 1.883 0 C-N-CA 122.058 1.838 . . . . 0.0 112.313 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.434 ' O ' ' OD1' ' A' ' 25' ' ' ASN . 15.3 p30 -87.15 123.82 32.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.495 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.6 tp -106.4 125.41 50.96 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.022 0.439 . . . . 0.0 110.271 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.3 p -84.43 168.03 15.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.459 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 29' ' ' ASN . 73.6 m -59.59 -39.35 83.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.684 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' A' ' 28' ' ' SER . 78.5 m-20 57.81 117.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.612 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 53.96 68.13 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.443 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.481 ' C ' ' H ' ' A' ' 33' ' ' GLN . 84.5 mtt85 -64.29 -37.3 87.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.828 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.5 ' CD2' ' H ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -75.33 20.62 0.15 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.301 -179.376 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.481 ' H ' ' C ' ' A' ' 31' ' ' ARG . 25.6 pt20 -56.4 -9.46 0.7 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.872 0.368 . . . . 0.0 110.516 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.433 ' H ' ' C ' ' A' ' 32' ' ' LEU . 98.7 mm-40 -61.58 -28.06 69.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.627 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 89.7 m -62.1 -45.17 94.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.815 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -62.89 -32.33 73.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.5 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.94 -27.38 66.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.605 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -62.63 -25.97 68.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.45 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 86.1 t -63.8 -25.68 38.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.489 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -82.32 -20.66 36.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.484 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -71.12 -40.54 71.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.047 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 m -65.85 -20.34 27.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-O 120.828 0.347 . . . . 0.0 110.818 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.2 t -62.12 -43.1 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.415 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -60.36 -39.99 89.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.589 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.463 ' N ' ' CD1' ' A' ' 45' ' ' ILE . 1.7 mp -63.96 -44.6 97.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.125 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 48.2 mtt -62.41 -38.92 91.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.485 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -58.25 -43.02 87.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.601 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.0 t -63.09 -43.43 98.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -61.25 -41.17 96.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.064 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.471 ' C ' ' H ' ' A' ' 52' ' ' LYS . 82.5 t -67.66 -41.04 85.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.84 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -53.91 -10.03 0.29 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.681 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.471 ' H ' ' C ' ' A' ' 50' ' ' VAL . 57.4 mtpt -74.91 -13.7 60.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.38 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.548 ' C ' ' H ' ' A' ' 55' ' ' GLU . 13.2 p -63.46 -9.03 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.485 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.95 26.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.4 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.548 ' H ' ' C ' ' A' ' 53' ' ' VAL . 80.4 mm-40 -46.06 154.79 0.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.198 179.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -133.59 152.49 51.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.273 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -78.77 108.96 12.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.383 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -81.3 142.27 33.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.742 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.58 -43.56 98.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.227 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.3 -72.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.43 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.7 m 41.73 75.45 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.768 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -171.84 87.15 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.351 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.7 mt 42.23 77.73 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.558 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -60.95 -51.08 70.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.813 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 55.1 p-10 -147.55 7.26 0.86 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.48 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -63.34 -43.06 98.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.401 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.04 -12.88 60.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.577 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 56.2 t0 58.18 35.16 24.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.481 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.56 119.41 1.69 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.27 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.34 -4.38 57.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.381 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 53.85 -176.43 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.445 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -150.31 151.84 33.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.453 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 174.05 -90.3 0.08 OUTLIER Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 57.13 95.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.362 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.4 p -154.35 88.17 1.21 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.703 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -81.62 -10.38 59.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.6 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -60.72 -45.56 93.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.688 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -62.52 -44.48 96.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.516 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 58.9 p -67.31 -34.26 76.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.652 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.8 t -61.64 -43.34 99.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.597 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.32 -38.12 89.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.731 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.61 95.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.644 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -63.39 -41.78 98.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.373 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.32 -43.31 99.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.266 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -62.73 -42.54 99.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.765 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -61.59 -33.41 73.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.842 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.44 -44.46 72.51 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.523 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.476 ' O ' ' CG ' ' A' ' 89' ' ' TRP . 75.8 m-85 -61.14 -64.08 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.62 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.476 ' CG ' ' O ' ' A' ' 88' ' ' TYR . 99.1 m95 -157.69 -112.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.571 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.491 ' CE3' ' O ' ' A' ' 90' ' ' TRP . 79.0 t90 -155.54 69.32 0.68 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.478 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -79.71 142.5 35.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.582 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -168.56 -78.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.726 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 79.6 mt -83.8 -4.88 59.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.606 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -62.51 -38.55 90.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.268 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 96.4 mmm -62.3 -38.26 88.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.544 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 67.3 mtt -60.67 -35.49 76.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.419 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 61.5 mt -62.17 -41.85 92.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.492 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 32.1 mm -57.3 -46.79 85.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.374 -178.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.31 -40.51 97.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 110.369 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.512 ' O ' ' SG ' ' A' ' 103' ' ' CYS . . . -61.36 -36.62 92.77 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.96 -47.15 91.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.805 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 60.1 mt -62.1 -48.16 89.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.321 0.581 . . . . 0.0 110.963 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.512 ' SG ' ' O ' ' A' ' 100' ' ' GLY . 5.5 p -57.4 -37.12 72.21 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.401 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.455 ' N ' ' SG ' ' A' ' 103' ' ' CYS . . . -58.29 -34.26 70.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.638 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 20.1 mm -63.64 -43.37 98.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.711 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.9 mm -56.0 -37.7 49.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.32 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 57.2 mt -60.99 -37.06 81.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.427 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 61.5 mt -57.09 -41.5 77.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.448 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.404 ' N ' ' CD1' ' A' ' 109' ' ' ILE . 1.8 mp -60.43 -41.22 86.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.003 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.405 HG21 HD11 ' A' ' 110' ' ' ILE . 33.9 mm -61.15 -44.64 98.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.457 -178.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 44.3 mm -63.69 -47.57 90.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.332 . . . . 0.0 110.864 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.439 ' O ' ' OG1' ' A' ' 116' ' ' THR . 85.6 t -66.07 -43.43 92.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.237 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -60.03 -43.95 94.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.793 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -60.29 -44.11 95.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.823 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 77.7 p -71.05 -22.12 62.17 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.603 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 112' ' ' VAL . 6.4 m . . . . . 0 C--N 1.324 -0.526 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.616 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.4 mtp . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.7 p -67.3 -18.58 65.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.66 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.16 153.61 31.03 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.5 p -80.86 166.95 20.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.437 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.85 174.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.516 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 52.16 37.4 21.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.593 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.5 t -70.36 -35.99 73.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.262 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.8 m -43.46 150.86 0.49 Allowed Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.754 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.08 165.15 25.01 Favored 'Trans proline' 0 C--N 1.31 -1.457 0 C-N-CA 122.31 2.007 . . . . 0.0 112.276 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 11' ' ' ALA . 69.4 Cg_exo -47.27 -40.71 28.0 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.526 2.15 . . . . 0.0 111.996 179.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 10' ' ' PRO . . . 60.4 137.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.57 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.97 73.31 3.12 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.458 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -59.78 145.03 99.26 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.927 2.418 . . . . 0.0 111.975 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.65 118.19 24.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.371 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.14 -39.2 96.93 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -67.87 142.88 55.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.348 . . . . 0.0 110.495 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.04 -11.56 0.03 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 52.76 -166.61 1.22 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -55.22 156.32 17.0 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.487 2.125 . . . . 0.0 112.075 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.96 -20.76 50.72 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.607 2.205 . . . . 0.0 111.733 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.31 154.64 0.48 Allowed Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.608 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.93 161.8 35.06 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.684 2.256 . . . . 0.0 111.994 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -61.24 167.68 8.94 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.577 2.185 . . . . 0.0 112.088 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -51.8 141.51 44.74 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.321 2.014 . . . . 0.0 112.073 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.466 ' C ' ' H ' ' A' ' 27' ' ' THR . 52.2 p-10 -83.88 -155.4 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.526 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 tp 63.05 0.63 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.561 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.466 ' H ' ' C ' ' A' ' 25' ' ' ASN . 9.9 t -80.45 167.08 20.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.503 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.1 t -63.27 142.44 58.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.452 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -91.39 8.02 38.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.564 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.532 ' C ' ' H ' ' A' ' 32' ' ' LEU . 15.4 mmm180 -64.58 -38.97 92.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.519 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.674 ' HE ' ' NE2' ' A' ' 34' ' ' GLN . 11.9 tpt180 -73.16 29.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.746 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.532 ' H ' ' C ' ' A' ' 30' ' ' ARG . 2.3 pp -60.92 -13.46 16.02 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.627 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -60.82 -41.64 96.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.435 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.674 ' NE2' ' HE ' ' A' ' 31' ' ' ARG . 88.3 mt-30 -65.49 -34.69 78.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.707 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.2 m -61.83 -44.56 96.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.726 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -62.68 -37.02 84.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.618 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.05 -37.95 84.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.603 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -64.32 -40.01 95.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.493 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.2 t -62.85 -44.45 99.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.39 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -64.13 -34.84 78.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.025 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' O ' ' OD2' ' A' ' 44' ' ' ASP . 83.1 tt0 -60.91 -31.05 70.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.573 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.5 t -63.82 -18.61 22.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.622 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.5 t -60.93 -47.74 92.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.738 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' A' ' 41' ' ' GLU . 0.7 OUTLIER -67.67 -38.05 83.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.561 179.729 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.9 mm -64.76 -44.05 96.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.469 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 62.7 ttp -61.92 -39.61 92.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.368 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -58.92 -43.37 91.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.468 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.63 -42.93 97.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.555 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -60.03 -41.34 92.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.043 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.81 -43.44 89.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.106 0.479 . . . . 0.0 110.654 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.14 -19.5 64.82 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.617 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -71.75 -31.11 66.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.424 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 91.5 t -65.84 -27.24 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.64 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 54' ' ' LEU . 3.9 mm? -63.34 -42.24 98.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.715 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -83.49 -17.61 41.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -62.63 -43.32 99.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.643 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 58' ' ' GLN . 99.6 m-20 -63.84 -36.7 84.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.572 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 57' ' ' ASP . 56.2 tt0 42.63 95.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.953 0.406 . . . . 0.0 110.744 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 61' ' ' SER . 69.8 mmtt -63.26 -41.57 99.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.315 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.0 tp -63.53 80.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.491 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 59' ' ' LYS . 2.0 t 173.07 78.39 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.536 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -170.36 29.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.735 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.5 tp 44.8 90.57 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.713 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 64' ' ' ASP . 44.9 p-10 -76.82 126.01 30.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.67 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -61.98 -42.17 98.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.53 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -165.13 -22.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.651 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 62.89 127.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.523 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.84 -41.36 97.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.633 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -131.3 88.14 2.55 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.713 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.3 tp -72.34 -32.31 66.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.587 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -54.61 156.15 3.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.541 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.39 112.96 12.24 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.57 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 78' ' ' GLU . . . -64.37 -36.68 93.49 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.06 175.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.721 0.296 . . . . 0.0 110.445 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 74.38 -160.1 0.07 Allowed 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.69 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.436 ' O ' ' OG1' ' A' ' 79' ' ' THR . 87.9 mt-30 -62.39 -30.75 71.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.55 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.431 ' O ' ' OG ' ' A' ' 80' ' ' SER . 87.9 m-85 -58.63 -27.05 64.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.506 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 73' ' ' GLY . 78.9 tt0 -57.55 -32.61 67.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.656 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 76' ' ' GLN . 68.7 p -60.77 -43.88 97.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.757 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 77' ' ' PHE . 78.1 p -62.45 -39.89 94.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.488 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.74 -36.27 83.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.578 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.32 -36.15 79.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.491 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -62.6 -42.06 99.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.617 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.13 -41.8 99.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.613 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -77.44 -18.12 57.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.563 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -61.35 -47.08 87.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.141 0.496 . . . . 0.0 110.744 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -66.42 -36.65 83.36 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.575 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -56.81 -46.03 81.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.467 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 75.7 t-105 -148.54 108.69 4.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.761 0.315 . . . . 0.0 110.68 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 -172.95 -86.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.46 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -137.92 148.78 45.61 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.311 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.41 ' CG ' ' H ' ' A' ' 93' ' ' LEU . 63.3 t30 -137.05 -120.64 0.15 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.451 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.41 ' H ' ' CG ' ' A' ' 92' ' ' ASN . 2.4 pp -75.82 -3.04 32.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.59 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -62.37 -42.63 99.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.362 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 96.8 mtp -63.72 -34.27 77.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.764 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 80.5 mtp -62.14 -36.04 80.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.633 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.04 -45.58 98.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.38 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.493 ' N ' ' CD1' ' A' ' 98' ' ' ILE . 1.5 mp -65.71 -44.37 93.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.937 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.51 -41.21 96.97 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.523 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -56.58 -37.95 78.58 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 74.6 t -61.08 -45.27 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.413 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.6 mm -64.43 -44.46 97.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.429 0.633 . . . . 0.0 110.457 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 90.0 m -63.82 -37.82 88.79 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.609 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.95 74.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.422 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.5 -43.41 98.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.505 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 30.3 mm -54.67 -37.47 39.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.181 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 61.0 mt -61.85 -40.6 95.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.551 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.9 mt -50.6 -40.59 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.53 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.485 ' N ' ' CD1' ' A' ' 109' ' ' ILE . 1.9 mp -61.97 -42.74 95.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.488 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.74 -43.8 97.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.545 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.1 mp -64.28 -45.2 96.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.274 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 77.9 t -64.95 -44.94 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.268 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -65.8 -38.76 89.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.712 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -60.34 -45.48 93.31 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.627 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 116' ' ' THR . 6.4 m -68.77 -18.04 64.14 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.952 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 115' ' ' SER . 3.9 t . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.95 -1.024 . . . . 0.0 111.393 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.7 ttp . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -67.76 142.55 56.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.526 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.62 141.55 56.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.503 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.429 ' O ' ' O ' ' A' ' 5' ' ' ALA . 65.8 p -82.85 166.37 19.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.527 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 4' ' ' THR . . . 58.62 150.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.553 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.29 -29.02 70.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.611 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.582 ' HG1' ' N ' ' A' ' 8' ' ' VAL . 3.8 t -145.14 154.86 42.89 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.602 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.582 ' N ' ' HG1' ' A' ' 7' ' ' THR . 2.9 m -70.9 150.15 95.06 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.701 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.68 165.64 24.85 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.38 2.053 . . . . 0.0 112.33 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -50.55 141.8 32.66 Favored 'Trans proline' 0 C--N 1.312 -1.392 0 C-N-CA 122.425 2.084 . . . . 0.0 111.963 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -124.48 152.77 42.95 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.469 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.4 73.23 5.51 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.457 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -60.07 145.32 98.7 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.808 2.339 . . . . 0.0 112.113 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.88 89.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.499 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.26 103.75 1.14 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -75.4 -80.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.721 0.295 . . . . 0.0 110.566 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.8 -161.07 34.36 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.769 -0.933 . . . . 0.0 110.769 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -146.98 71.88 0.32 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.07 158.82 16.51 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.606 2.204 . . . . 0.0 112.076 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.38 48.03 1.19 Allowed 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.794 2.329 . . . . 0.0 111.897 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.512 ' N ' ' CD ' ' A' ' 22' ' ' PRO . . . -164.88 50.04 0.23 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.449 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 28.7 Cg_endo -62.98 163.39 22.54 Favored 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.69 2.26 . . . . 0.0 112.215 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.489 ' C ' ' H ' ' A' ' 25' ' ' ASN . 74.3 Cg_exo -40.36 155.82 0.05 OUTLIER 'Trans proline' 0 C--N 1.311 -1.436 0 C-N-CA 122.587 2.191 . . . . 0.0 112.204 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -68.7 14.28 0.2 Allowed 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.725 2.284 . . . . 0.0 111.869 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.489 ' H ' ' C ' ' A' ' 23' ' ' PRO . 52.8 t-20 57.86 81.85 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.867 0.365 . . . . 0.0 110.619 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.416 ' O ' ' OG1' ' A' ' 27' ' ' THR . 73.4 mt -75.47 169.15 18.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.545 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 26' ' ' LEU . 20.4 p 53.99 -178.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.53 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.0 p -154.29 162.65 41.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.626 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -62.72 -40.19 96.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.473 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -146.52 140.15 25.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.666 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -66.5 -23.33 66.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.847 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 73.6 mt -76.79 2.91 13.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.502 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -57.81 -41.63 82.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.394 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.623 ' C ' ' H ' ' A' ' 36' ' ' GLN . 89.3 mt-30 -64.85 -38.94 92.68 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.996 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.8 m 63.03 -33.16 0.11 Allowed 'General case' 0 CA--C 1.531 0.243 0 O-C-N 123.818 0.699 . . . . 0.0 110.903 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.623 ' H ' ' C ' ' A' ' 34' ' ' GLN . 99.5 mt-30 -57.09 -13.82 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.521 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.413 ' C ' ' N ' ' A' ' 39' ' ' VAL . . . -62.51 -35.22 78.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.479 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -46.47 -20.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.486 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.413 ' N ' ' C ' ' A' ' 37' ' ' ALA . 10.7 p -59.31 -30.9 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.392 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 65.2 t0 -64.25 -39.69 94.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.547 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -66.68 -35.99 81.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.579 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.7 t -53.21 -15.99 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.506 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.509 ' CG1' ' N ' ' A' ' 44' ' ' ASP . 9.5 p -60.07 -46.42 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.009 0.433 . . . . 0.0 110.591 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.509 ' N ' ' CG1' ' A' ' 43' ' ' VAL . 64.4 t0 -62.44 -42.69 99.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.522 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 35.2 mm -63.68 -43.76 98.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.475 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 37.0 ttm -61.86 -40.07 94.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.534 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -59.61 -42.75 93.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.314 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.46 -43.73 98.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.572 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -61.03 -41.16 96.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.171 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.3 t -67.11 -38.59 81.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.106 0.479 . . . . 0.0 110.858 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 35.4 t0 -53.01 -17.76 1.64 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.739 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -65.95 -39.01 90.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.444 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.516 ' C ' ' H ' ' A' ' 55' ' ' GLU . 68.9 t -62.19 -44.53 99.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.657 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' A' ' 54' ' ' LEU . 3.7 mm? -73.75 36.59 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.647 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.516 ' H ' ' C ' ' A' ' 53' ' ' VAL . 22.3 pt-20 -62.41 -33.1 74.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.497 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -69.4 148.22 49.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.563 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -63.87 124.75 22.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.582 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -65.15 138.31 58.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.519 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.5 pttp -84.48 -95.85 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.415 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.9 mt 46.0 -119.5 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.53 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.9 t 40.75 62.19 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.749 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -61.26 -44.3 97.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.472 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.3 tp -171.72 48.34 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.636 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -91.15 116.72 29.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.47 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 34.7 p-10 -93.48 0.63 56.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.559 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 -91.95 -5.71 52.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.501 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.65 -38.31 90.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.474 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.493 ' C ' ' H ' ' A' ' 70' ' ' LEU . 39.1 p-10 -79.25 -3.24 44.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.466 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 50.15 12.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.585 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.493 ' H ' ' C ' ' A' ' 68' ' ' ASP . 51.3 tp -111.48 127.0 55.56 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.526 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -48.76 167.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.451 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -155.23 154.7 32.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.612 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.07 129.29 40.84 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.78 -37.91 89.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.734 0.302 . . . . 0.0 110.616 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.1 m -63.39 144.72 56.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.495 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.539 ' C ' ' H ' ' A' ' 78' ' ' GLU . 36.4 tp60 -93.79 13.61 21.91 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.339 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.454 ' CD2' ' O ' ' A' ' 77' ' ' PHE . 44.2 t80 62.74 -3.2 0.32 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.557 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.539 ' H ' ' C ' ' A' ' 76' ' ' GLN . 45.1 tp10 -68.33 -32.72 73.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.33 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 62.5 p -64.43 -34.33 77.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.586 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.1 m -60.86 -42.41 97.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.603 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.2 -17.59 49.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.711 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.22 -28.36 69.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.549 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -64.42 -43.54 94.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.723 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 84' ' ' LEU . 10.2 mp -63.4 -41.08 98.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.336 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -63.04 -41.88 99.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.439 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -59.26 -36.04 74.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.022 0.439 . . . . 0.0 110.577 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -62.02 -41.73 98.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.485 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -68.84 -56.3 8.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.592 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -63.06 -38.82 92.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.656 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.528 ' CD2' ' O ' ' A' ' 90' ' ' TRP . 77.1 t90 56.31 18.7 3.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.493 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 84.3 tttt 56.96 71.82 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.509 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 54.8 p30 -101.15 12.55 37.38 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.515 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.49 -43.79 97.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.438 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.2 -39.52 94.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.519 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 26.0 tpp -62.54 -39.91 95.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.513 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 47.7 ttp -60.13 -44.08 95.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.581 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 65.2 mt -64.91 -45.31 95.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.467 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.9 mm -64.08 -43.48 97.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.446 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.9 tp -61.38 -38.79 88.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.326 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -58.65 -34.59 77.35 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 79.7 t -61.28 -47.67 92.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.509 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.441 ' N ' ' CD1' ' A' ' 102' ' ' ILE . 1.7 mp -63.79 -43.77 98.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.24 0.543 . . . . 0.0 110.437 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 92.2 m -60.31 -35.64 76.05 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.445 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.86 -34.98 73.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.3 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.406 HG23 HD13 ' A' ' 105' ' ' ILE . 21.4 mm -63.57 -43.52 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.115 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.27 -42.66 96.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.166 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.28 -42.62 98.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.693 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 91.3 mt -62.26 -42.83 96.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.392 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.16 -43.03 97.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.482 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.31 -44.79 99.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.395 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.1 mm -65.24 -44.54 95.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.74 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.442 ' O ' ' OG ' ' A' ' 115' ' ' SER . 73.1 t -67.28 -42.88 88.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.254 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -60.36 -44.37 95.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.808 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -62.52 -26.97 68.84 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.668 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 112' ' ' VAL . 72.4 p -82.08 -10.9 59.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.546 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.5 m . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.535 -179.937 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.493 ' C ' ' H ' ' A' ' 3' ' ' ALA . 11.6 ptt? . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m 47.36 14.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.658 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.493 ' H ' ' C ' ' A' ' 1' ' ' MET . . . -62.92 -38.11 89.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.592 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -41.79 93.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.461 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.57 93.67 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.52 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -145.67 139.35 26.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.223 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 89.5 m -129.28 131.67 47.02 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.193 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.3 m -140.97 149.2 55.19 Favored Pre-proline 0 C--O 1.233 0.234 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.627 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -37.97 155.59 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 122.588 2.192 . . . . 0.0 112.307 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -68.53 -57.92 0.13 Allowed 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 122.581 2.187 . . . . 0.0 112.034 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 12' ' ' ALA . . . -167.72 158.49 11.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.371 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 11' ' ' ALA . . . -44.18 170.51 0.05 OUTLIER Pre-proline 0 CA--C 1.537 0.467 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.597 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -50.96 -43.85 45.27 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.386 2.057 . . . . 0.0 112.139 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 178.42 -101.22 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.551 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.72 170.65 43.79 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -157.81 159.19 36.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.71 0.291 . . . . 0.0 110.44 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -146.72 14.52 1.57 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 170.7 168.57 32.65 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.536 ' O ' ' N ' ' A' ' 21' ' ' ALA . 36.3 Cg_endo -66.42 163.67 31.43 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.528 2.152 . . . . 0.0 112.101 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 21' ' ' ALA . 77.3 Cg_exo -43.81 82.24 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.723 2.282 . . . . 0.0 112.436 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . 38.6 91.13 0.06 OUTLIER Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.614 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -77.67 115.67 3.9 Favored 'Trans proline' 0 C--N 1.313 -1.311 0 C-N-CA 121.846 1.697 . . . . 0.0 111.857 -179.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.501 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 35.3 Cg_exo -50.87 -43.1 48.89 Favored 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 121.613 1.542 . . . . 0.0 111.99 178.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 23' ' ' PRO . 31.7 Cg_exo -56.75 -58.65 0.87 Allowed 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 121.826 1.684 . . . . 0.0 112.323 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.7 28.66 14.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.784 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' ' 29' ' ' ASN . 9.0 mp -64.81 -39.89 94.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.441 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.8 p -42.74 -64.66 0.58 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.872 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.5 m -60.87 -43.49 98.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.434 ' O ' ' O ' ' A' ' 26' ' ' LEU . 92.5 m-20 -76.4 175.52 9.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.596 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -169.46 -122.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.797 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -58.08 -17.07 15.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.861 0.362 . . . . 0.0 110.494 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.1 mt -81.34 1.21 33.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.549 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -57.04 -41.66 79.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.251 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -64.0 -39.42 94.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.726 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.0 m -62.64 -45.39 93.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.718 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.439 ' C ' ' H ' ' A' ' 38' ' ' GLN . 86.9 mt-30 -63.9 -39.39 94.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.601 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.05 -11.09 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.638 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.439 ' H ' ' C ' ' A' ' 36' ' ' GLN . 58.1 tt0 -55.18 -39.5 69.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.518 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.3 p -64.83 -39.67 86.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.522 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -68.92 -20.65 64.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.793 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -65.97 -40.55 91.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.548 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.9 t -64.04 -43.93 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.398 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.2 t -60.29 -42.39 90.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.224 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.88 -40.77 94.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.597 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.428 HG23 HD13 ' A' ' 45' ' ' ILE . 95.5 mt -63.9 -43.76 97.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.704 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 68.8 mmm -64.43 -39.95 94.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.461 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -61.92 -42.92 99.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.611 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 73.7 t -64.12 -42.66 96.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -60.2 -40.64 90.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.142 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.7 t -65.03 -43.1 96.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.078 0.466 . . . . 0.0 110.58 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -66.75 -27.94 68.01 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.705 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.692 ' HZ3' HE21 ' A' ' 58' ' ' GLN . 88.5 tttt -66.35 -35.67 80.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.035 0.445 . . . . 0.0 110.403 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.8 t -62.86 -44.62 99.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.399 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.54 -42.64 99.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.692 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 52' ' ' LYS . 22.3 pt-20 -167.98 -156.48 0.19 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.747 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.0 ttp85 56.49 79.79 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.484 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -78.82 169.27 18.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.561 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.692 HE21 ' HZ3' ' A' ' 52' ' ' LYS . 87.6 mt-30 -61.85 134.37 56.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.369 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -62.92 -42.95 99.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.603 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.1 tp -123.46 126.34 46.57 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.889 0.376 . . . . 0.0 110.381 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.3 t -172.58 -31.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.809 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -171.48 -31.93 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.662 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.6 tp -56.26 99.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.477 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -159.46 -99.16 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.641 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.74 -44.06 97.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.745 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -154.66 151.62 29.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.703 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -164.14 -21.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.525 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.14 -43.41 98.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.563 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 68.71 106.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.378 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.26 153.79 17.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.217 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.521 ' O ' ' N ' ' A' ' 73' ' ' GLY . 88.2 mt-30 52.33 -94.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.608 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 52.41 -84.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.549 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 71' ' ' GLN . . . 75.58 22.21 75.66 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.34 -12.3 60.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.783 0.325 . . . . 0.0 110.554 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.0 t 55.25 78.41 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.648 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.428 ' O ' ' OG1' ' A' ' 79' ' ' THR . 29.6 pt20 -80.08 -16.08 55.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.597 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -61.8 -45.05 95.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.697 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.01 -38.51 88.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.52 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 76' ' ' GLN . 70.1 p -64.36 -41.82 96.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.597 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.465 ' HG ' ' N ' ' A' ' 81' ' ' ALA . 78.5 p -62.11 -40.01 94.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.585 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.465 ' N ' ' HG ' ' A' ' 80' ' ' SER . . . -76.89 -19.93 56.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.706 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.98 97.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.649 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.84 -44.92 91.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.726 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.9 mt -63.17 -42.06 99.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.445 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -60.4 -42.47 96.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.587 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -78.94 -28.37 43.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.74 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -56.94 -44.03 82.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.392 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -73.86 -111.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.533 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 35.3 p-90 -173.46 36.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.399 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -61.38 -43.55 98.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.357 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -128.99 145.04 51.35 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.435 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -90.37 146.71 23.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.146 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.405 ' CD2' ' H ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -82.74 -0.4 47.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.063 -179.65 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.34 -36.8 78.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.404 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 73.9 mtm -63.39 -39.06 93.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.426 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 90.1 mmm -66.47 -39.35 88.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.3 -49.6 83.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.106 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.0 tt -66.69 -38.01 80.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.673 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 31.2 mt -62.98 -39.76 95.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.343 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.486 ' O ' ' SG ' ' A' ' 103' ' ' CYS . . . -61.15 -33.81 85.63 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 85.6 t -62.99 -44.24 99.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.812 0.339 . . . . 0.0 110.729 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 12.9 mm -63.57 -45.21 98.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.205 0.526 . . . . 0.0 110.583 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 100' ' ' GLY . 5.6 p -64.07 -37.92 89.19 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.557 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.473 ' N ' ' SG ' ' A' ' 103' ' ' CYS . . . -59.82 -37.65 79.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.593 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.3 -43.38 98.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.508 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 63.1 mt -57.76 -30.89 38.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.142 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 53.5 tp -68.52 -36.27 78.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.757 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 42.0 mm -59.76 -48.45 87.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.209 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 18.5 pt -65.21 -39.46 85.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.842 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 78.0 mt -60.83 -42.32 92.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.5 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.9 mm -61.45 -42.08 92.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.336 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 116' ' ' THR . 81.0 t -60.81 -45.39 98.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.826 0.346 . . . . 0.0 110.123 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -63.67 -38.46 91.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -60.27 -45.18 94.21 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.809 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.5 m -89.98 -15.82 31.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.863 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.0 m . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 118.099 -0.953 . . . . 0.0 111.114 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 ptp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m 49.5 18.99 0.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -64.29 -38.12 89.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.506 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.435 ' O ' ' O ' ' A' ' 3' ' ' ALA . 45.9 p 51.62 173.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.38 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -149.91 -28.75 0.24 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.496 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.84 -40.68 93.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.58 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 97.9 m -125.17 128.13 47.88 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.935 0.397 . . . . 0.0 110.435 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.0 m -75.57 149.13 83.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.636 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -68.97 161.84 44.12 Favored 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 122.479 2.119 . . . . 0.0 112.269 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -68.63 152.58 74.5 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.879 2.386 . . . . 0.0 111.898 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.28 143.19 56.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.336 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -163.82 72.39 1.78 Allowed Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.428 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -59.76 145.57 97.83 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.796 2.331 . . . . 0.0 112.062 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.37 -37.28 86.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.361 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 16' ' ' GLU . . . 75.4 -87.44 0.81 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 15' ' ' GLY . 80.4 mm-40 -52.61 -173.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.803 0.335 . . . . 0.0 110.407 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 67.34 -129.43 28.57 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.36 -166.75 29.63 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -52.34 157.15 7.11 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.604 2.203 . . . . 0.0 112.089 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -68.75 154.88 70.41 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 122.73 2.287 . . . . 0.0 111.984 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.38 163.74 0.2 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.387 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -41.34 154.24 0.08 OUTLIER 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.707 2.271 . . . . 0.0 112.184 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -68.26 161.71 43.49 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.665 2.243 . . . . 0.0 112.108 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.47 146.38 84.98 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.759 2.306 . . . . 0.0 111.689 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -92.66 105.26 17.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.205 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.5 tp -122.09 122.33 39.0 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.248 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 m -107.29 44.44 1.07 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.54 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.8 t -61.07 -43.44 98.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.455 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -85.24 161.27 19.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.456 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 85.4 mtp180 43.34 65.8 0.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.686 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -65.94 -21.54 66.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.594 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.1 mt -80.81 8.12 8.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.451 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -61.57 -42.83 99.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.548 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.657 ' NE2' ' HG1' ' A' ' 35' ' ' THR . 4.9 pp0? -74.74 -25.57 59.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.772 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.657 ' HG1' ' NE2' ' A' ' 34' ' ' GLN . 99.9 m -63.17 -46.63 86.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.82 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -80.09 -12.18 59.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.663 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.51 -13.04 61.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.604 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -49.84 -23.7 2.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.529 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.5 p -60.64 -26.82 39.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.363 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -61.5 -37.72 84.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.497 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.44 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 76.6 mm-40 -65.68 -29.53 70.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.472 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 82.4 t -69.59 -25.09 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.742 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.5 t -62.05 -47.1 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.715 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 41' ' ' GLU . 2.4 p-10 -71.69 -39.63 70.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.728 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.406 HD12 HG23 ' A' ' 45' ' ' ILE . 96.9 mt -63.55 -43.9 98.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.928 0.394 . . . . 0.0 110.448 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.8 ttm -61.54 -39.83 92.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.531 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -57.77 -42.72 84.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.511 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.89 -43.09 94.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.513 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -58.25 -37.6 75.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.26 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.48 -29.55 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.086 0.47 . . . . 0.0 110.536 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.446 ' O ' ' OE1' ' A' ' 55' ' ' GLU . 86.1 m-20 -78.37 -28.58 47.11 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.802 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -68.83 -41.79 78.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.986 0.422 . . . . 0.0 110.971 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.5 m -74.11 -13.85 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.847 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.485 ' C ' ' H ' ' A' ' 56' ' ' ARG . 58.0 tp -62.83 -38.14 89.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.751 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 55' ' ' GLU . 57.9 mp0 -75.38 33.79 0.11 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.127 -179.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.485 ' H ' ' C ' ' A' ' 54' ' ' LEU . 80.5 mtp85 -112.85 6.42 17.94 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.524 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -61.11 -44.93 96.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.626 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -77.79 143.74 37.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.644 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -67.32 -79.14 0.05 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.401 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 3.8 mm? -90.11 141.59 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.1 0.476 . . . . 0.0 110.39 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.8 m -102.71 -83.55 0.47 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.813 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -126.25 -11.21 6.39 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 120.974 0.416 . . . . 0.0 110.71 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.427 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 10.4 mp -61.01 -39.32 89.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.2 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -42.46 -61.91 1.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.347 . . . . 0.0 110.769 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 48.2 p-10 -169.39 171.36 7.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.633 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -75.2 86.16 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.415 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -111.68 131.17 55.47 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.922 0.391 . . . . 0.0 110.607 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -64.04 -41.78 97.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.675 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -174.77 -107.73 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.476 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.427 ' CD1' ' N ' ' A' ' 70' ' ' LEU . 10.5 mp -63.19 -41.48 99.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.0 0.429 . . . . 0.0 110.599 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -61.43 128.27 35.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.574 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 46.45 38.58 5.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.58 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.51 -121.82 0.28 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.29 -123.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.746 0.308 . . . . 0.0 110.512 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.592 ' C ' ' H ' ' A' ' 77' ' ' PHE . 23.9 p -77.99 -65.15 1.01 Allowed 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.811 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 64.54 -9.62 0.17 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.506 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.592 ' H ' ' C ' ' A' ' 75' ' ' SER . 48.1 m-85 -78.69 -152.61 0.06 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.415 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -92.76 -13.38 29.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.743 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.41 ' CG2' ' N ' ' A' ' 80' ' ' SER . 11.6 t -60.45 -43.23 97.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.582 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.41 ' N ' ' CG2' ' A' ' 79' ' ' THR . 94.7 p -60.81 -37.04 80.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.516 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.04 -22.2 65.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.6 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.38 -36.0 80.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.627 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -61.44 -42.27 98.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.464 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.2 tp -63.3 -42.7 99.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.489 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.43 -43.54 98.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.428 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 89' ' ' TRP . 78.9 mtp85 -63.52 -43.65 96.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.771 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -64.52 -47.65 78.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.566 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -61.92 -47.12 86.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.595 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.428 ' O ' ' O ' ' A' ' 86' ' ' ARG . 75.4 t-105 -93.71 118.0 30.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.487 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -83.07 133.78 35.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.462 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 65.0 tttm -79.77 129.51 34.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.231 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 91' ' ' LYS . 13.5 m120 -139.79 27.12 2.24 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.519 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 49.2 tp -63.11 -34.13 76.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.43 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -59.75 -39.8 86.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.393 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 65.0 mtt -63.97 -37.43 87.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.394 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 6.9 ttt -61.2 -35.74 77.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.78 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 95.4 mt -61.75 -42.37 94.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.266 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 96.6 mt -58.84 -47.08 90.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.567 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.454 ' N ' ' CD2' ' A' ' 99' ' ' LEU . 4.0 mm? -64.6 -38.05 89.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.366 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -58.29 -38.92 91.74 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.32 -47.87 91.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.464 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 53.8 mt -62.43 -47.92 90.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.407 0.622 . . . . 0.0 110.588 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 93.1 m -58.69 -38.87 79.2 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.409 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.06 -35.0 64.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.28 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 67.6 mt -63.28 -42.06 95.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.595 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 64.6 mt -60.8 -43.59 95.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.654 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.05 -41.27 97.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.509 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.413 HG22 HD11 ' A' ' 108' ' ' ILE . 96.8 mt -63.16 -43.24 98.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.432 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.39 -43.34 98.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.396 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 93.8 mt -61.94 -43.01 96.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.39 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.21 -42.13 94.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.654 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 52.1 t -57.36 -29.91 34.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -96.16 -17.52 20.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.489 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -61.35 -45.42 94.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.062 0.458 . . . . 0.0 110.897 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 116' ' ' THR . 8.6 t -63.36 -20.41 65.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.946 -179.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 115' ' ' SER . 4.9 t . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.038 -0.982 . . . . 0.0 111.364 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.9 p -62.53 -36.4 82.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.541 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.65 141.72 55.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.38 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.8 p -137.4 156.6 48.0 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.462 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -159.86 150.86 19.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.481 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -163.94 154.87 15.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.246 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.5 p -134.29 156.18 48.89 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.19 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.5 t -143.88 129.64 9.91 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.654 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -73.13 161.48 43.11 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 122.203 1.936 . . . . 0.0 112.288 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -62.95 -28.96 75.45 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.757 2.305 . . . . 0.0 111.834 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 43.25 33.84 0.63 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.617 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.416 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . -155.88 55.19 1.07 Allowed Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.586 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.416 ' CD ' ' N ' ' A' ' 12' ' ' ALA . 55.6 Cg_endo -69.36 152.18 71.36 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.804 2.336 . . . . 0.0 111.999 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.85 141.2 55.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.3 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -160.99 86.7 0.11 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 53.36 33.53 15.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.568 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.4 169.73 51.34 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.73 166.24 37.43 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -67.53 161.97 41.12 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.608 2.205 . . . . 0.0 112.028 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.38 177.25 5.5 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.766 2.311 . . . . 0.0 111.687 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.54 72.96 11.74 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.35 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -78.41 160.53 28.9 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.483 2.122 . . . . 0.0 112.129 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.22 161.72 41.7 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.508 2.138 . . . . 0.0 112.007 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.09 147.89 80.28 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.839 2.36 . . . . 0.0 111.759 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -153.14 147.79 26.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.387 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 68.1 mt -81.95 79.69 8.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.221 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.8 m -62.11 -45.58 92.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.378 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.9 p -157.42 162.83 39.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.587 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -73.19 166.01 23.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.522 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -57.95 96.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.427 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.442 ' O ' ' OG1' ' A' ' 35' ' ' THR . 95.4 mtt-85 -63.03 -36.34 83.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.537 ' H ' ' CD2' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -60.93 -43.68 98.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.163 -179.71 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -65.22 -39.9 93.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.406 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -64.42 -29.49 70.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.777 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -76.62 175.97 8.81 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.081 0.467 . . . . 0.0 110.438 -179.563 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.462 ' C ' ' H ' ' A' ' 38' ' ' GLN . 98.9 mm-40 -80.35 -12.07 59.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.476 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.81 -12.41 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.938 0.399 . . . . 0.0 110.601 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.462 ' H ' ' C ' ' A' ' 36' ' ' GLN . 66.6 tp60 -57.24 -28.46 62.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.287 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.6 m -62.09 -7.29 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.373 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 41' ' ' GLU . 42.2 p-10 -63.88 -35.66 81.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.522 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.505 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 98.1 mt-10 -66.36 -38.19 87.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.714 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.478 ' O ' ' SD ' ' A' ' 46' ' ' MET . 91.2 t -54.3 -16.78 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.491 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.17 -43.56 98.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.637 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 45' ' ' ILE . 2.5 p30 -62.84 -35.06 78.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.609 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.533 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 57.6 mt -63.63 -43.86 98.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.463 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.569 ' SD ' ' N ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -62.88 -38.37 90.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.34 -179.851 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -61.84 -40.65 96.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.51 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.21 -43.46 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.569 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -59.13 -40.47 85.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.048 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.9 t -66.14 -43.57 92.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.14 0.495 . . . . 0.0 110.81 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -74.42 -15.07 60.93 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.839 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -66.84 -33.74 76.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.318 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.0 t -63.88 -44.55 98.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.795 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 56.8 mt -86.37 31.84 0.65 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.575 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -68.65 -169.56 0.17 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.55 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -75.56 145.75 41.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.632 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.79 141.0 58.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.499 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -51.55 -99.49 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.601 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -140.91 44.41 1.81 Allowed 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.797 0.332 . . . . 0.0 110.528 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.419 ' N ' ' CD1' ' A' ' 60' ' ' LEU . 10.5 mp -63.16 -41.94 99.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.541 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.632 ' C ' ' H ' ' A' ' 63' ' ' LEU . 6.2 p -153.48 -82.48 0.08 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.494 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 65.19 -29.04 0.11 Allowed 'General case' 0 N--CA 1.464 0.254 0 O-C-N 123.64 0.587 . . . . 0.0 111.15 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.632 ' H ' ' C ' ' A' ' 61' ' ' SER . 4.5 mm? -89.84 5.3 46.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.53 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.466 ' O ' ' O ' ' A' ' 63' ' ' LEU . 98.4 m-20 -52.57 -106.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.479 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -155.34 -38.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.486 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -62.61 -43.4 98.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.613 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.63 -37.83 88.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.536 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -62.38 -42.13 99.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 56.54 61.04 2.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.574 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.6 tp -62.83 -42.53 99.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.465 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -48.51 -90.06 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.378 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 170.11 162.21 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.919 0.39 . . . . 0.0 110.161 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.84 -140.01 46.84 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.19 -31.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.772 0.32 . . . . 0.0 110.71 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.495 ' HG ' ' H ' ' A' ' 76' ' ' GLN . 45.2 t -156.48 165.03 37.5 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.595 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.495 ' H ' ' HG ' ' A' ' 75' ' ' SER . 88.3 mt-30 -75.82 -118.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.529 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -95.94 -1.25 49.57 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.531 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -62.6 -40.36 96.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.399 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.0 t -66.12 -36.21 82.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.531 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.7 t -61.45 -43.12 99.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.634 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.56 -38.27 90.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.663 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.85 92.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.419 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -62.48 -45.48 92.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.645 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.2 tp -62.93 -40.6 98.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.183 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 1.6 tmmm? -62.87 -41.4 99.36 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.803 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -65.74 -36.9 84.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.108 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -51.97 -38.83 58.01 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.495 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -74.83 161.12 29.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.392 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -46.02 -55.11 7.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.544 -179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -173.24 89.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.311 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.469 ' O ' ' CG ' ' A' ' 85' ' ' LYS . 98.2 mttt -113.64 148.69 35.82 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.502 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 92' ' ' ASN . 53.7 p30 -133.69 66.69 1.54 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.559 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.424 ' N ' ' CD1' ' A' ' 93' ' ' LEU . 10.4 mp -62.94 -38.85 92.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.321 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -58.38 -43.56 88.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.411 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 66.0 mtt -64.74 -39.51 93.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.907 0.384 . . . . 0.0 110.447 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 62.9 ttp -61.52 -40.97 96.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.335 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.93 -43.51 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.497 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.67 -43.14 98.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.333 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.71 -40.31 96.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.65 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.6 -34.92 90.2 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 73.9 t -61.84 -46.76 95.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.601 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 59.7 mt -59.88 -48.24 88.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.416 0.627 . . . . 0.0 110.619 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 72.2 m -56.56 -35.06 67.73 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.472 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.53 -39.44 70.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.589 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.9 mp -62.85 -40.52 89.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.262 -0.427 . . . . 0.0 109.858 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 61.3 mt -57.91 -48.19 84.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.415 -178.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.44 -39.88 95.67 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.057 0.456 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 88.7 mt -62.38 -43.18 97.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.003 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.5 tp -53.21 -33.84 21.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.032 0.444 . . . . 0.0 110.027 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 44.4 mm -65.49 -43.02 94.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.697 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 37.5 mm -59.32 -51.87 67.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.018 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.3 m -67.83 -42.93 86.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.989 0.423 . . . . 0.0 110.544 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -59.65 -43.57 93.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.814 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -59.9 -43.99 94.5 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.749 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.3 m -85.38 -7.02 59.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.686 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 31.0 m . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.575 -179.895 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.4 ttp . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.8 t -152.28 149.18 28.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.506 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.82 143.23 57.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.625 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.0 p -78.95 164.92 24.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.515 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.76 141.52 57.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.38 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.87 117.62 28.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.351 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.6 p -135.92 157.59 46.47 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.231 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.1 t -145.23 62.63 9.1 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.296 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -74.12 165.22 32.5 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.429 2.086 . . . . 0.0 112.272 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -50.22 137.74 37.81 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.333 2.022 . . . . 0.0 112.095 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.46 -12.12 59.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.458 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.451 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 61.41 53.26 2.65 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.493 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 12' ' ' ALA . 39.3 Cg_endo -66.36 -21.18 54.42 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.812 2.341 . . . . 0.0 112.04 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.05 142.85 55.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.6 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -159.38 92.02 0.12 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.25 138.26 57.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.895 0.378 . . . . 0.0 110.497 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 169.67 142.2 3.48 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -177.92 74.61 0.07 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -52.04 156.03 7.94 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.681 2.254 . . . . 0.0 112.002 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.1 -28.06 56.96 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 122.67 2.246 . . . . 0.0 111.853 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 43.32 69.93 2.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.44 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -51.1 155.62 6.04 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.773 2.315 . . . . 0.0 112.202 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.9 166.85 19.21 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.356 2.038 . . . . 0.0 112.282 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.05 143.21 51.42 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.494 2.129 . . . . 0.0 112.131 178.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -65.86 137.74 57.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.432 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.467 ' N ' ' CD1' ' A' ' 26' ' ' LEU . 9.5 mp -75.43 148.56 39.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.417 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.4 p 48.77 -151.27 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.436 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.9 t 43.84 -162.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.668 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.462 ' C ' ' H ' ' A' ' 31' ' ' ARG . 16.2 m120 54.68 94.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.621 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.524 ' C ' ' H ' ' A' ' 32' ' ' LEU . 85.2 mtp180 -75.57 39.28 0.16 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.669 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.462 ' H ' ' C ' ' A' ' 29' ' ' ASN . 95.7 mtt-85 -74.73 26.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.722 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.524 ' H ' ' C ' ' A' ' 30' ' ' ARG . 87.4 mt -63.29 -42.23 99.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.896 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -58.21 -39.25 78.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.373 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -63.33 -30.72 71.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.442 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.3 m -62.57 -45.39 93.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.738 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -59.92 -39.56 85.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.565 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.09 -13.13 61.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.685 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.481 ' NE2' ' OE1' ' A' ' 41' ' ' GLU . 61.1 tp60 -65.15 -26.47 68.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.311 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.425 ' O ' ' CG1' ' A' ' 42' ' ' VAL . 92.9 t -63.11 -46.47 95.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.512 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 65.4 t0 -65.42 -37.41 86.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.609 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.481 ' OE1' ' NE2' ' A' ' 38' ' ' GLN . 97.0 mt-10 -58.96 -19.93 47.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.77 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.425 ' CG1' ' O ' ' A' ' 39' ' ' VAL . 8.1 p -48.4 -25.58 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.429 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.6 t -61.97 -44.04 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.297 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -58.63 -44.71 90.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.715 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.7 mp -64.69 -42.56 95.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.39 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 91.2 mtp -61.65 -41.32 97.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.493 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -63.19 -39.55 94.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.578 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.6 t -63.9 -43.87 97.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.607 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -61.5 -42.07 98.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.32 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.439 ' C ' ' H ' ' A' ' 52' ' ' LYS . 99.2 t -71.82 -28.33 30.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.141 0.496 . . . . 0.0 110.851 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -56.18 -9.24 0.61 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.599 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.439 ' H ' ' C ' ' A' ' 50' ' ' VAL . 63.9 pttt -62.65 -19.68 64.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.396 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.0 p -63.51 -35.63 73.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.394 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -62.83 -43.26 99.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.21 0.529 . . . . 0.0 110.448 -179.188 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 54' ' ' LEU . 22.7 tp10 -60.32 -132.01 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.402 -179.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' A' ' 55' ' ' GLU . 56.3 ttp180 57.57 153.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.737 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 43.3 t0 52.67 86.62 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.527 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -142.92 147.44 35.27 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.994 0.426 . . . . 0.0 110.392 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -62.16 -44.49 96.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.702 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.1 mt -83.85 131.38 34.88 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.311 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.7 t -172.86 -54.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.801 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -165.03 -40.13 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.571 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.522 ' N ' ' CD2' ' A' ' 63' ' ' LEU . 3.8 mm? -81.19 133.07 35.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.56 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 40.1 t0 -153.85 159.05 41.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.58 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.507 ' N ' ' OD1' ' A' ' 64' ' ' ASP . 99.5 m-20 53.28 170.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.559 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 47.99 85.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.505 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.04 142.61 25.4 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.544 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 55.3 t0 55.92 27.31 10.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.519 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 71' ' ' GLN . . . -77.55 -58.2 3.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.644 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.6 tp 42.95 19.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.668 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 69' ' ' ALA . 52.5 mt-30 -62.7 131.08 47.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.589 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.24 142.4 57.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.459 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -93.5 8.87 74.57 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.75 97.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.684 0.278 . . . . 0.0 110.556 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.3 m -72.49 150.68 43.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.659 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -59.13 -175.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.508 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -82.81 -1.02 50.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.419 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -80.12 -37.31 33.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.663 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.9 m -62.35 -44.99 95.19 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 120.826 0.346 . . . . 0.0 110.814 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.2 t -61.64 -43.07 99.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.467 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.88 -37.28 86.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.647 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.84 -47.95 79.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.635 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -61.65 -42.51 98.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.431 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.97 -41.29 97.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.417 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.1 -35.93 78.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.56 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -64.22 -43.73 94.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -104.42 31.18 4.81 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.81 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -59.75 -46.93 87.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.449 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -148.25 -19.18 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.577 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 75.0 t-105 -162.33 115.56 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.425 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.62 155.98 27.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.197 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 92' ' ' ASN . 50.5 p30 -77.65 73.47 4.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.637 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 83.3 mt -83.64 -7.06 59.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.334 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -63.73 -34.18 77.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.524 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 97.1 mtp -64.86 -38.95 92.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.658 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 36.9 ttm -61.89 -36.23 80.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.316 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.4 mm -61.68 -46.74 95.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.654 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 35.7 mm -64.51 -43.43 96.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.113 0.483 . . . . 0.0 110.292 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.7 tt -62.02 -39.42 92.21 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.802 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -59.3 -34.76 81.8 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 94.5 t -63.31 -44.86 99.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 110.67 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.8 mm -64.36 -44.14 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.342 0.592 . . . . 0.0 110.453 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 82.8 m -63.09 -36.29 83.09 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.455 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.35 -35.46 77.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.489 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.48 -43.65 98.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.383 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 35.8 mm -63.85 -42.83 97.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.372 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.73 -44.11 97.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.119 0.485 . . . . 0.0 110.169 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.415 HG22 HD13 ' A' ' 108' ' ' ILE . 96.2 mt -62.64 -42.34 95.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.426 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.7 mm -61.51 -42.65 94.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.439 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.07 -43.87 98.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.923 0.392 . . . . 0.0 110.314 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.4 mm -65.21 -43.97 95.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.933 0.397 . . . . 0.0 110.498 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 98.9 t -71.52 -25.36 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.533 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.428 ' O ' ' CG2' ' A' ' 116' ' ' THR . 91.3 t80 -60.71 -44.69 96.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.631 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -65.67 -38.13 88.44 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.724 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 74.6 m -82.64 -7.66 59.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.813 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.428 ' CG2' ' O ' ' A' ' 113' ' ' TYR . 13.7 t . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.892 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.2 mtp . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -59.74 -40.94 89.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.604 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.49 111.79 13.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.9 m -118.84 127.73 53.79 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.449 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.86 140.13 58.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.417 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -166.21 101.47 0.63 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.368 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 90.7 m -125.1 131.23 53.33 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.351 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 m -144.39 150.13 46.87 Favored Pre-proline 0 C--O 1.234 0.251 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.656 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.91 167.19 20.31 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 C-N-CA 122.349 2.033 . . . . 0.0 112.359 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -54.12 143.59 62.14 Favored 'Trans proline' 0 N--CA 1.493 1.5 0 C-N-CA 122.334 2.023 . . . . 0.0 112.147 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.59 -38.41 91.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.465 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 58.92 57.31 5.68 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.611 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.81 153.42 68.74 Favored 'Trans proline' 0 C--N 1.31 -1.499 0 C-N-CA 122.811 2.34 . . . . 0.0 112.002 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.8 144.94 32.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.465 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 163.66 124.81 0.73 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' A' ' 18' ' ' GLY . 57.3 mp0 -68.75 -51.34 42.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.781 0.324 . . . . 0.0 110.691 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 42.26 19.82 0.06 OUTLIER Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 16' ' ' GLU . . . 158.18 74.26 0.02 OUTLIER Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.463 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 30.0 Cg_exo -58.63 -174.63 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.532 2.155 . . . . 0.0 112.085 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' A' ' 19' ' ' PRO . 31.2 Cg_exo -60.69 147.4 94.98 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.652 2.234 . . . . 0.0 112.003 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.19 152.42 46.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.784 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.41 160.3 46.22 Favored 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.526 2.151 . . . . 0.0 112.077 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 24' ' ' PRO . 43.6 Cg_endo -70.05 163.25 39.19 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.466 2.111 . . . . 0.0 112.129 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 23' ' ' PRO . 73.4 Cg_exo -42.5 172.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.755 2.303 . . . . 0.0 112.158 179.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -62.4 -41.11 98.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.635 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.426 ' CD2' ' H ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -84.09 122.48 28.87 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.832 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.2 p -99.14 120.24 39.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.465 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.4 p -64.46 -19.03 65.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.483 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -75.73 156.1 34.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.592 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -70.03 146.52 50.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.609 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -62.72 -35.85 81.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.387 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.438 ' O ' ' O ' ' A' ' 35' ' ' THR . 20.7 mt -61.6 -40.81 96.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.792 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -63.36 -37.56 87.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.557 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -62.28 -57.06 12.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.821 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.438 ' O ' ' O ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -99.22 131.71 45.06 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.164 0.507 . . . . 0.0 110.455 179.65 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -96.43 -18.08 20.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.806 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.39 -15.95 57.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.721 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -64.72 -53.32 49.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.703 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.1 p -67.57 -37.24 78.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.592 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.423 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 47.9 t0 -64.97 -22.09 66.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.407 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -55.12 -21.97 14.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.699 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.1 p -62.05 -22.51 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.489 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.499 ' CG1' ' N ' ' A' ' 44' ' ' ASP . 9.4 p -58.81 -45.13 91.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.071 0.462 . . . . 0.0 110.536 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.499 ' N ' ' CG1' ' A' ' 43' ' ' VAL . 99.4 m-20 -57.5 -45.04 85.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.291 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.37 -42.7 97.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.449 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.431 ' SD ' ' C ' ' A' ' 46' ' ' MET . 13.9 tmm? -59.83 -38.77 82.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.602 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 -62.34 -39.35 92.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.513 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.2 t -61.92 -44.4 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.666 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -60.09 -40.31 89.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.944 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.21 -41.42 92.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.71 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.53 -38.26 83.87 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.557 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -66.51 -40.85 89.41 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.951 0.405 . . . . 0.0 110.461 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.438 ' C ' ' H ' ' A' ' 55' ' ' GLU . 87.9 t -67.45 -43.72 87.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.596 -179.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 tp -80.0 26.2 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.84 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.438 ' H ' ' C ' ' A' ' 53' ' ' VAL . 15.8 pt-20 -65.94 -32.5 74.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.583 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 61.96 56.33 2.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.394 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -86.07 -3.86 59.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.573 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -67.73 151.75 46.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.522 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.97 -41.24 99.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.722 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 73.51 24.76 2.21 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.532 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.2 p -168.32 83.87 0.18 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.266 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -167.37 -72.42 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.478 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.437 ' O ' ' OD1' ' A' ' 64' ' ' ASP . 6.1 tt -95.52 122.35 38.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.673 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 63' ' ' LEU . 99.4 m-20 -141.5 147.22 37.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.673 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -83.17 -115.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.529 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 90.6 mtm-85 -64.84 -39.27 93.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.576 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.9 144.18 56.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.48 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 53.5 p30 -171.07 35.83 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.581 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.26 -86.42 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.447 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 70.5 mt -74.22 144.23 44.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.516 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -63.45 -38.31 90.64 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.523 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 66.73 32.11 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.586 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 67.74 32.95 79.1 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 50.8 -146.45 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.691 0.281 . . . . 0.0 110.533 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -69.26 140.93 54.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.477 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -87.88 -8.73 55.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.663 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.417 ' O ' ' OG ' ' A' ' 80' ' ' SER . 87.3 m-85 -64.63 -39.41 93.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.553 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -65.07 -42.7 93.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.562 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 66.3 p -71.47 -33.75 69.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.77 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 77' ' ' PHE . 79.0 p -63.28 -29.23 70.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.485 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.96 98.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.504 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.06 82.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.857 0.36 . . . . 0.0 110.573 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -65.5 -37.69 87.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.515 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.8 tp -60.59 -42.9 97.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.495 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.19 -40.68 96.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.231 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -63.13 -43.54 98.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.051 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.549 ' O ' ' N ' ' A' ' 90' ' ' TRP . 98.4 mttt -60.66 -46.09 91.64 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.565 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.626 ' C ' ' H ' ' A' ' 90' ' ' TRP . 65.4 t80 40.09 44.56 1.52 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.652 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 53.1 m95 62.63 -11.4 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.777 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.626 ' H ' ' C ' ' A' ' 88' ' ' TYR . 21.3 t90 -69.34 -48.41 61.49 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.565 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -111.96 125.63 54.26 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.179 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -127.5 131.79 50.07 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 41.5 mt -83.66 -0.31 50.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.41 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -54.77 -49.74 70.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.105 0.478 . . . . 0.0 110.155 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 37.8 ttm -64.21 -37.12 86.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.388 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 97.4 mmm -63.33 -35.83 81.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.381 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.44 -42.9 97.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.548 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.57 -43.61 98.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.084 0.469 . . . . 0.0 109.944 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -40.3 95.73 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.245 0.545 . . . . 0.0 110.743 -179.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -57.52 -33.19 65.99 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.9 t -62.18 -47.02 95.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.323 . . . . 0.0 110.476 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.459 ' N ' ' CD1' ' A' ' 102' ' ' ILE . 1.7 mp -63.57 -44.77 98.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.242 0.544 . . . . 0.0 110.427 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 97.4 m -64.16 -42.82 96.59 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.576 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.32 -36.59 43.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.629 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.65 -42.37 95.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.538 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.3 mt -60.12 -43.19 92.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.289 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.419 ' CD2' ' N ' ' A' ' 107' ' ' LEU . 4.2 mm? -63.07 -41.81 99.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.126 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 89.5 mt -60.82 -42.24 91.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.581 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 86.5 mt -56.9 -39.85 67.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.341 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 94.4 mt -60.5 -44.23 96.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.466 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.1 mp -65.01 -44.48 95.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.272 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 78.0 t -64.81 -39.32 85.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.089 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -53.16 -45.26 68.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.714 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -62.71 -41.23 99.03 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.872 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 78.1 p -71.61 -22.01 61.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.792 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.1 m . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.677 -179.818 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.8 ttp . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t -71.86 143.13 49.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.607 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.31 97.26 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.73 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.5 m -61.58 -45.22 95.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.518 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.7 144.61 57.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.597 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.77 143.02 57.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.439 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.457 ' OG1' ' SD ' ' A' ' 46' ' ' MET . 45.9 p -133.65 159.78 39.48 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.465 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 8' ' ' VAL . 11.8 p -162.53 75.11 2.11 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.285 0.564 . . . . 0.0 110.368 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -56.29 156.79 19.85 Favored 'Trans proline' 0 C--N 1.301 -1.966 0 C-N-CA 122.422 2.082 . . . . 0.0 112.128 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.36 152.22 79.35 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.66 2.24 . . . . 0.0 112.028 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.16 93.74 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.287 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.82 76.26 0.37 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.353 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -58.71 145.67 94.98 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.832 2.355 . . . . 0.0 112.023 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -159.29 157.32 30.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.527 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.07 168.24 43.65 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -148.11 151.54 35.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.833 0.349 . . . . 0.0 110.656 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.09 135.51 2.15 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.457 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 59.07 53.09 49.34 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 18' ' ' GLY . 36.3 Cg_endo -66.59 161.56 40.89 Favored 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.522 2.148 . . . . 0.0 112.045 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.25 143.56 77.75 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.634 2.223 . . . . 0.0 111.925 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.577 ' N ' ' CD ' ' A' ' 22' ' ' PRO . . . -78.48 -45.68 2.03 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.145 179.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 55.6 Cg_endo -82.0 161.73 18.26 Favored 'Trans proline' 0 C--N 1.313 -1.294 0 C-N-CA 122.371 2.048 . . . . 0.0 112.145 -178.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.5 163.48 15.18 Favored 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.564 2.176 . . . . 0.0 111.953 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.58 -19.89 53.96 Favored 'Trans proline' 0 C--N 1.308 -1.569 0 C-N-CA 122.769 2.313 . . . . 0.0 111.844 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -83.26 94.12 7.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.449 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.8 tp -174.91 -67.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.459 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.562 ' HG1' ' H ' ' A' ' 28' ' ' SER . 11.1 t -145.65 165.35 28.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.244 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.562 ' H ' ' HG1' ' A' ' 27' ' ' THR . 41.3 t -122.6 129.55 52.02 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.37 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -93.3 6.99 46.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.451 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -64.46 -42.55 95.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.627 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -62.63 -39.46 93.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.483 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.14 -32.2 73.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.608 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -53.07 -25.28 12.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.408 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -65.97 -33.69 76.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.572 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.449 HG22 ' H ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -75.34 175.15 8.67 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.997 0.427 . . . . 0.0 110.411 -179.554 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.449 ' H ' HG22 ' A' ' 35' ' ' THR . 87.0 mt-30 -93.19 -13.75 27.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.584 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.48 -41.6 94.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.606 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -74.43 -29.22 61.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.558 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.0 t -62.06 -43.63 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.473 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -60.81 -34.58 74.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.456 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.31 -33.98 77.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.683 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.5 t -63.3 -7.82 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.582 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.513 ' CG1' ' N ' ' A' ' 44' ' ' ASP . 7.2 p -60.34 -46.13 95.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.145 0.498 . . . . 0.0 110.644 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.513 ' N ' ' CG1' ' A' ' 43' ' ' VAL . 98.6 m-20 -63.43 -43.1 98.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.448 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.6 mm -64.94 -43.38 96.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.641 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.457 ' SD ' ' OG1' ' A' ' 7' ' ' THR . 45.6 ttp -51.81 -43.72 63.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.463 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -61.18 -43.05 99.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.479 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.9 t -66.22 -42.84 91.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.644 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -57.94 -41.18 82.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.078 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.8 t -64.11 -43.47 97.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.056 0.455 . . . . 0.0 110.734 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -63.34 -33.69 76.08 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.745 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -65.06 -34.12 77.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.314 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 56' ' ' ARG . 82.5 t -61.06 -47.13 94.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.48 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.494 ' CD2' ' N ' ' A' ' 54' ' ' LEU . 4.0 mm? -64.33 -38.13 89.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.691 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -58.65 -46.32 87.42 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.431 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' A' ' 53' ' ' VAL . 82.6 mmt-85 -98.08 137.26 37.14 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.652 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 58' ' ' GLN . 66.5 t0 -169.64 129.72 1.02 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.372 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.447 ' CD ' ' H ' ' A' ' 59' ' ' LYS . 0.5 OUTLIER 40.76 -163.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.979 0.418 . . . . 0.0 110.778 -179.83 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' H ' ' CD ' ' A' ' 58' ' ' GLN . 52.4 mttp 54.43 17.33 1.55 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.502 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.4 tp -62.96 -42.31 99.79 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.477 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.9 t -174.54 -71.87 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.68 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 64' ' ' ASP . 80.2 tt0 -172.21 -95.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.568 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.524 ' N ' ' CD2' ' A' ' 63' ' ' LEU . 3.7 mm? 39.59 25.0 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 62' ' ' GLU . 64.5 t0 -137.65 -89.9 0.24 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.65 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 54.6 p-10 -74.43 146.89 42.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.543 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -80.19 140.02 36.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.348 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -103.29 120.84 41.52 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.338 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.1 p-10 -157.79 22.5 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.578 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -171.96 -156.48 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.281 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.8 tp -138.5 -26.08 0.9 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -171.1 156.12 4.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.498 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -161.31 151.86 17.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.608 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.98 -41.94 97.07 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -101.32 115.65 30.99 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.78 0.324 . . . . 0.0 110.445 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.6 p -159.48 160.94 35.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.635 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.457 ' OE1' ' N ' ' A' ' 76' ' ' GLN . 1.0 OUTLIER -73.79 -15.47 61.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.643 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -63.04 -27.52 69.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -53.72 -20.56 5.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.552 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 45.1 p -71.11 -24.45 62.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.648 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 94.9 p -58.11 -31.58 67.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.444 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.3 -34.02 73.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.493 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.02 -44.89 91.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.662 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -63.61 -38.82 92.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.442 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 48.3 tp -62.72 -42.35 99.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.487 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.1 -38.92 88.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.421 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.585 ' NH2' HD22 ' A' ' 92' ' ' ASN . 83.7 mtp180 -62.64 -35.51 79.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.656 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -61.52 -36.8 81.58 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.61 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.44 ' O ' ' O ' ' A' ' 89' ' ' TRP . 91.2 t80 -60.26 -41.59 93.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.39 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.603 ' NE1' ' CE2' ' A' ' 90' ' ' TRP . 17.9 t-105 -55.92 -157.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.449 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.603 ' CE2' ' NE1' ' A' ' 89' ' ' TRP . 27.2 m0 -45.25 -76.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.458 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.497 ' C ' ' H ' ' A' ' 93' ' ' LEU . 8.1 mmtt -176.4 -28.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.651 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.585 HD22 ' NH2' ' A' ' 86' ' ' ARG . 62.1 t30 65.64 -3.24 0.73 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.552 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.497 ' H ' ' C ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -63.86 -44.24 93.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.224 0.535 . . . . 0.0 110.516 -179.54 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -64.37 -33.96 77.07 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.47 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.479 ' SD ' ' OD1' ' A' ' 92' ' ' ASN . 58.1 mtt -62.27 -34.73 77.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.318 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 97.0 mmm -75.4 -38.34 59.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.427 HD11 HG23 ' A' ' 97' ' ' ILE . 96.6 mt -66.05 -46.28 88.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.18 -179.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 20.5 tt -65.43 -38.59 82.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.619 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 32.8 mt -62.7 -39.79 95.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.729 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.08 -33.62 84.79 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.0 t -63.24 -43.78 98.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.81 0.338 . . . . 0.0 110.524 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.6 mm -62.46 -44.48 99.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.339 0.59 . . . . 0.0 110.449 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 11.1 p -70.44 -32.64 70.3 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.832 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.77 -51.01 71.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.011 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 21.5 pt -64.94 -33.85 66.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 82.4 mt -62.69 -42.29 95.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.306 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.4 tp -59.19 -42.94 92.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.564 -178.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 40.5 mm -63.01 -42.74 97.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.527 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.402 HD13 HG23 ' A' ' 109' ' ' ILE . 95.9 mt -62.09 -42.98 97.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.332 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.7 mt -62.56 -44.74 99.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.521 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 33.1 mm -65.19 -44.48 95.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.764 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 70.4 t -67.31 -43.06 88.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.161 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.485 ' O ' ' CG2' ' A' ' 116' ' ' THR . 88.5 t80 -61.81 -40.28 94.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.696 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -63.75 -41.82 97.94 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.642 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.8 t -66.9 -19.03 65.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.932 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 113' ' ' TYR . 10.9 t . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.828 -1.082 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.403 ' C ' ' N ' ' A' ' 3' ' ' ALA . 88.7 mtp . . . . . 0 N--CA 1.492 1.642 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.422 ' O ' ' OG ' ' A' ' 2' ' ' SER . 11.5 t 44.98 22.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.589 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 1' ' ' MET . . . -176.11 9.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.656 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.1 m -123.67 128.13 49.19 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.972 0.415 . . . . 0.0 110.457 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -158.67 152.58 23.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.462 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -160.05 56.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.622 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.7 p -86.71 88.72 7.73 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.539 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -71.36 129.63 88.7 Favored Pre-proline 0 N--CA 1.446 -0.652 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.715 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -72.97 165.5 32.63 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.443 2.095 . . . . 0.0 112.311 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -51.03 140.62 39.4 Favored 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 122.382 2.054 . . . . 0.0 112.2 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -160.13 96.2 1.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.664 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.604 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 180.0 -44.52 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.406 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 12' ' ' ALA . 28.1 Cg_exo -60.99 144.62 99.62 Favored 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.675 2.25 . . . . 0.0 112.018 -179.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.08 150.24 27.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.475 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -97.15 133.81 11.52 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.75 -37.68 82.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.848 0.356 . . . . 0.0 110.586 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.46 -36.85 0.04 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 51.42 72.64 0.48 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.48 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 24.2 Cg_exo -61.9 -174.55 0.14 Allowed 'Trans proline' 0 C--N 1.303 -1.848 0 C-N-CA 122.697 2.265 . . . . 0.0 111.97 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.48 ' CD ' ' CB ' ' A' ' 19' ' ' PRO . 28.0 Cg_exo -60.95 145.08 99.58 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.633 2.222 . . . . 0.0 112.235 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.68 152.75 4.68 Favored Pre-proline 0 N--CA 1.452 -0.367 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.713 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.71 114.01 2.96 Favored 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 122.961 2.44 . . . . 0.0 112.061 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.404 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 50.0 Cg_exo -48.27 -178.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.42 2.08 . . . . 0.0 112.274 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 23' ' ' PRO . 31.1 Cg_exo -61.1 141.61 94.44 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.614 2.209 . . . . 0.0 112.209 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -63.32 -41.69 98.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.686 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.3 tp -165.9 125.7 1.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.475 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.3 p -139.89 -50.37 0.49 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.675 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.8 t -151.95 136.05 16.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.368 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.3 p30 -134.32 11.93 3.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.529 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -139.06 77.09 1.6 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.351 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -91.9 7.49 41.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.673 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.47 ' O ' ' OG1' ' A' ' 35' ' ' THR . 63.7 mt -70.06 -16.0 63.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.591 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -78.91 -45.7 20.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.483 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.45 ' O ' ' O ' ' A' ' 35' ' ' THR . 40.7 tt0 -95.62 19.03 11.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.575 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 32' ' ' LEU . 1.0 OUTLIER -45.99 174.64 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.836 -179.502 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.47 ' H ' HG23 ' A' ' 35' ' ' THR . 88.1 mt-30 -82.53 -12.23 57.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.73 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.88 -49.55 76.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.587 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -65.85 -31.94 73.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.508 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.2 t -64.31 -43.23 97.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.413 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -61.79 -38.03 86.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.661 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -52.78 -18.63 1.96 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.621 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.53 -29.27 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.329 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 77.3 t -61.36 -44.75 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.503 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.01 -40.35 95.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.446 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.6 mt -78.87 -30.79 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.986 0.422 . . . . 0.0 110.65 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 47.6 ttp -59.56 -48.41 81.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.857 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -65.9 -39.84 90.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.727 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.2 t -66.36 -43.1 91.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.432 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -57.98 -41.28 82.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.128 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.16 -43.64 98.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.084 0.468 . . . . 0.0 110.753 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -64.34 -33.68 76.41 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.355 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -66.02 -38.9 89.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.351 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.22 -45.65 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.561 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.88 -41.86 99.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.902 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -82.05 97.13 8.0 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.527 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -168.3 30.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.73 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -61.23 -50.82 71.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.519 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -141.87 155.23 45.54 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.89 0.376 . . . . 0.0 110.702 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -87.77 -6.6 58.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.596 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.11 140.04 58.83 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.66 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 t 55.33 83.8 0.08 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.475 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.545 ' C ' ' H ' ' A' ' 64' ' ' ASP . 44.0 tp10 -169.05 76.97 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.516 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 75.9 mt 50.66 9.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.681 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.545 ' H ' ' C ' ' A' ' 62' ' ' GLU . 49.4 t0 -67.88 145.98 54.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.464 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -64.27 -44.4 91.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.614 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.8 ptt-85 -158.69 174.1 15.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.555 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.59 149.97 47.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.558 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 49.8 p-10 -79.91 -0.74 36.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.565 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 65.56 26.08 11.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.619 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.482 ' N ' ' CD1' ' A' ' 70' ' ' LEU . 9.1 mp 42.42 -109.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.539 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' A' ' 73' ' ' GLY . 25.8 mt-30 44.02 -169.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.489 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 44.88 -92.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.654 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 71' ' ' GLN . . . 178.24 -36.39 0.08 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 50.22 -151.79 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.761 0.315 . . . . 0.0 110.554 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.1 t -64.16 143.94 57.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.582 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -157.38 -35.64 0.08 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.488 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -95.01 -12.45 26.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.371 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -69.47 -35.86 76.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.513 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -32.36 73.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.514 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.4 m -58.8 -41.99 88.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.622 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.07 -22.78 67.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.713 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.18 -35.1 66.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.534 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -59.87 -41.43 91.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.539 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.73 -40.44 97.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.612 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -64.08 -37.02 85.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.697 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -60.66 -34.06 73.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.907 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -52.45 -39.29 60.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.395 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -60.55 -42.3 96.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.702 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -68.09 -48.36 65.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.624 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -64.22 -41.63 96.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -76.58 151.47 36.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.628 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -75.1 152.37 38.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.606 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 3.9 mm? -63.16 -40.26 97.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.671 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -52.62 -34.49 51.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.408 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 42.9 tpp -60.22 -39.4 86.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.059 0.457 . . . . 0.0 110.392 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 28.3 ttt -67.85 -38.07 82.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.515 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 36.3 mm -60.89 -50.53 80.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 13.2 tt -67.8 -37.35 78.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.688 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.58 -41.07 98.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.521 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.471 ' O ' ' SG ' ' A' ' 103' ' ' CYS . . . -62.27 -34.54 89.53 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.6 t -61.56 -45.66 98.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.589 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 59.2 mt -61.45 -50.24 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.788 -179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.471 ' SG ' ' O ' ' A' ' 100' ' ' GLY . 8.7 p -60.97 -36.33 79.12 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.63 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.466 ' N ' ' SG ' ' A' ' 103' ' ' CYS . . . -59.51 -38.81 81.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.482 -179.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.8 -42.73 97.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.456 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.419 HG21 HD12 ' A' ' 106' ' ' ILE . 32.6 mm -57.35 -38.52 62.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.27 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.38 -37.35 80.47 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.581 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.457 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 35.4 mm -61.82 -42.61 95.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 33.3 mm -69.35 -42.83 81.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.602 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.92 -50.85 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.088 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 10.8 tp -66.78 -37.61 79.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 108' ' ' ILE . 37.5 t -66.08 -39.15 83.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.125 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -56.19 -46.34 79.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.552 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -62.19 -40.52 96.32 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.882 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.2 t -70.93 -33.79 70.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.757 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 C--O 1.219 -0.546 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.656 -179.611 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 m -60.46 139.34 57.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.408 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.7 -37.63 84.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.577 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.1 p -80.21 164.89 22.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.436 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -151.79 149.58 29.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.425 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.45 165.92 17.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.313 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -132.39 131.59 41.98 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.293 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.519 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 12.5 m -151.81 49.78 0.59 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.922 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 8' ' ' VAL . 19.0 Cg_endo -59.23 112.06 1.11 Allowed 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.872 2.381 . . . . 0.0 111.571 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.46 142.76 57.82 Favored 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.008 1.805 . . . . 0.0 112.176 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.81 170.16 16.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.177 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -143.3 73.61 17.68 Favored Pre-proline 0 N--CA 1.463 0.212 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.228 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -59.66 145.29 98.52 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.917 2.411 . . . . 0.0 111.746 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.44 157.27 17.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.214 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.83 162.68 54.79 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.496 ' N ' ' OE1' ' A' ' 16' ' ' GLU . 57.0 mp0 -80.45 148.87 30.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.915 0.388 . . . . 0.0 110.472 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.71 -7.36 74.43 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -46.04 -73.43 0.29 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.32 112.58 1.28 Allowed 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.68 2.253 . . . . 0.0 111.54 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.44 140.97 52.69 Favored 'Trans proline' 0 N--CA 1.498 1.771 0 C-N-CA 122.129 1.886 . . . . 0.0 112.153 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.91 155.68 1.03 Allowed Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.455 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -36.01 100.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.157 0 C-N-CA 122.948 2.432 . . . . 0.0 111.864 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -79.15 165.86 23.37 Favored 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 121.722 1.614 . . . . 0.0 112.361 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -49.3 135.72 31.64 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 122.135 1.89 . . . . 0.0 111.751 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -109.8 129.92 55.58 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.457 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.5 mt -63.97 -38.12 89.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.482 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.8 p -56.87 -39.28 74.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.368 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.5 t -68.3 130.39 42.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.392 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.6 p30 -174.84 60.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.556 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.452 ' C ' ' H ' ' A' ' 32' ' ' LEU . 88.8 mtm180 -79.91 -171.68 3.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.639 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 85.4 mtp180 -78.53 20.92 0.4 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.625 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.452 ' H ' ' C ' ' A' ' 30' ' ' ARG . 2.5 pp -51.54 -34.89 38.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.589 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -56.9 -20.14 21.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.223 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -65.31 -22.37 66.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.754 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.432 HG22 ' H ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -68.44 176.82 2.66 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.095 0.474 . . . . 0.0 110.289 -179.618 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.432 ' H ' HG22 ' A' ' 35' ' ' THR . 2.5 mp0 -74.3 -10.58 59.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.406 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.07 -46.62 61.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.406 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -65.22 -40.03 93.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.465 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.4 t -62.29 -43.99 98.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.287 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -46.64 -20.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.771 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -93.11 -38.36 11.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.39 -43.02 97.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.666 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 44' ' ' ASP . 9.7 p -54.77 -40.21 50.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.341 0.591 . . . . 0.0 110.46 -179.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.45 ' N ' ' CG1' ' A' ' 43' ' ' VAL . 65.6 t0 -58.75 -41.51 86.7 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.267 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.5 mm -64.28 -42.25 94.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.474 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.5 ttm -57.25 -40.0 76.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.61 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.98 -39.13 93.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.832 0.348 . . . . 0.0 110.561 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.9 t -63.68 -43.14 97.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -58.94 -40.05 83.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.232 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.49 -36.84 78.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.771 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -51.82 -25.3 7.47 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.68 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -66.31 -39.28 89.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.25 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.509 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 48.3 t -74.04 -24.06 19.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.855 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.06 -41.73 97.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.585 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.33 92.62 0.2 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.739 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.509 ' NH1' ' O ' ' A' ' 53' ' ' VAL . 86.0 mmt-85 -66.14 -42.22 89.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.651 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -77.59 141.63 39.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.267 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.471 ' NE2' ' O ' ' A' ' 56' ' ' ARG . 4.9 mp0 -109.21 123.69 49.65 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.232 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -97.92 1.3 47.89 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.534 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.453 ' N ' ' CD1' ' A' ' 60' ' ' LEU . 9.8 mp 41.73 74.5 0.11 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.494 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.5 p -161.7 78.9 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.376 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -172.05 -80.78 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.207 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.6 tp -114.7 120.02 38.69 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.911 0.386 . . . . 0.0 110.615 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -169.1 -27.09 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.534 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.5 p30 -84.66 -2.12 57.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.674 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 67' ' ' ALA . 74.4 ttp85 -132.59 133.26 43.45 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.184 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 66' ' ' ARG . . . 53.24 171.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.679 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 62.3 t0 57.84 39.09 27.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.601 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.438 ' O ' ' O ' ' A' ' 70' ' ' LEU . . . -155.3 156.44 35.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.471 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.536 ' O ' ' N ' ' A' ' 72' ' ' ALA . 9.7 mp 54.28 110.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.55 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 53.05 -84.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.315 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . -137.55 -65.19 0.53 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.511 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 69.38 27.07 73.97 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -153.89 165.35 36.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.798 0.332 . . . . 0.0 110.664 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.514 ' C ' ' H ' ' A' ' 77' ' ' PHE . 12.7 m -149.08 -151.37 0.39 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.629 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 77' ' ' PHE . 40.0 tp60 -62.29 0.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.396 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.514 ' H ' ' C ' ' A' ' 75' ' ' SER . 76.8 m-85 58.24 119.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.614 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -68.3 -38.44 81.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.812 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -41.23 75.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.455 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.0 t -60.7 -42.68 97.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.666 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.2 -16.88 64.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.82 -48.8 63.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.474 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -63.35 -41.74 98.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.806 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 52.7 mt -62.5 -41.83 99.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.587 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -62.79 -40.11 96.3 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.578 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -62.72 -37.78 87.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.622 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -61.55 -43.48 98.79 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.713 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -97.23 48.96 1.05 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.547 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -149.78 -73.39 0.17 Allowed 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.618 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -55.8 -36.41 67.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.591 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -61.81 -176.11 0.08 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.403 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -92.93 16.38 12.73 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.829 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.7 mp -82.48 2.26 33.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.254 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -59.22 -39.89 84.14 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.582 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 81.0 mmm -60.87 -38.69 86.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.367 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 66.0 mtt -60.11 -32.59 71.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.617 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 63.7 mt -60.94 -42.36 92.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.352 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.56 -42.32 87.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.002 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.2 mp -60.64 -40.98 93.97 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.372 -179.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -62.97 -36.25 93.19 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 73.3 t -62.72 -45.94 97.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.701 0.286 . . . . 0.0 110.684 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 59.7 mt -62.61 -47.69 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.212 0.53 . . . . 0.0 110.497 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 95.3 m -61.82 -36.82 82.28 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.613 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.7 -36.86 79.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.483 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.39 -44.37 97.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.619 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 63.0 mt -61.15 -39.29 81.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.19 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.9 tp -58.51 -37.99 76.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.468 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.432 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 96.3 mt -61.56 -43.86 97.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 0.0 110.351 -179.063 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 3.4 mp -66.93 -43.61 89.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.547 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.417 HD11 HG21 ' A' ' 110' ' ' ILE . 96.7 mt -60.32 -52.1 65.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.063 -178.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 10.7 tp -66.81 -37.61 79.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.715 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' A' ' 108' ' ' ILE . 30.2 t -65.13 -39.51 85.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.003 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -55.35 -46.01 76.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -178.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -61.61 -44.66 96.58 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.525 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.7 t -67.67 -18.39 64.92 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.935 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.403 ' OG1' ' OXT' ' A' ' 116' ' ' THR . 3.8 t . . . . . 0 N--CA 1.468 0.454 0 CA-C-O 118.042 -0.98 . . . . 0.0 111.551 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 ptp . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.7 p -154.09 -39.95 0.09 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.546 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.523 ' C ' ' H ' ' A' ' 5' ' ' ALA . . . 42.36 -162.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.724 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.7 p 49.33 11.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.644 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.523 ' H ' ' C ' ' A' ' 3' ' ' ALA . . . -74.95 144.73 43.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.618 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.436 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . 60.62 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.718 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 5' ' ' ALA . 43.3 p 52.39 33.71 13.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.608 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.5 t 59.07 72.62 0.79 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.377 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -79.26 164.84 24.06 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.371 2.047 . . . . 0.0 112.428 -179.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -49.74 138.12 33.54 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.266 1.978 . . . . 0.0 112.095 178.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.36 -108.23 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.365 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 174.73 154.38 0.31 Allowed Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.427 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.7 145.81 82.28 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.817 2.345 . . . . 0.0 112.041 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -171.05 -30.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.633 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.91 129.06 9.95 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.485 ' N ' ' CD ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -106.02 -103.16 0.33 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.955 0.407 . . . . 0.0 110.161 -179.864 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.428 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . 140.15 -14.36 3.04 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.24 -170.35 54.83 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -57.02 158.27 18.03 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.672 2.248 . . . . 0.0 112.014 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.5 154.7 68.4 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.696 2.264 . . . . 0.0 112.034 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.543 ' N ' ' CD ' ' A' ' 22' ' ' PRO . . . 61.45 47.82 1.26 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.24 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 19.7 Cg_endo -57.1 112.81 1.22 Allowed 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.533 2.155 . . . . 0.0 111.503 -179.501 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.526 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 32.1 Cg_exo -49.0 -42.34 38.51 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.336 2.024 . . . . 0.0 112.021 178.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 23' ' ' PRO . 39.3 Cg_exo -60.24 146.77 95.69 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.43 2.087 . . . . 0.0 112.234 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.6 m120 55.15 89.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.64 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 71.2 mt -74.0 149.41 41.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.293 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.5 t -137.17 150.03 47.66 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.446 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.495 ' C ' ' H ' ' A' ' 30' ' ' ARG . 8.0 p -80.83 171.67 14.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.62 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -73.29 39.19 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.476 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.495 ' H ' ' C ' ' A' ' 28' ' ' SER . 74.1 ttp85 -85.65 -70.17 0.61 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.761 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -68.27 -42.99 78.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.082 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.432 ' CD2' ' H ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -81.68 17.55 1.44 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.112 -179.491 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -58.32 -11.07 2.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.385 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 35' ' ' THR . 65.9 tt0 -65.41 -32.44 74.08 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.517 ' OG1' ' N ' ' A' ' 36' ' ' GLN . 6.2 t 33.78 -152.15 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.847 0.356 . . . . 0.0 110.986 -179.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.517 ' N ' ' OG1' ' A' ' 35' ' ' THR . 99.0 mm-40 -96.45 -16.9 20.93 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.764 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.409 ' H ' HG23 ' A' ' 35' ' ' THR . . . -53.11 -48.7 67.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.605 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -66.05 -39.15 89.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.454 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.1 t -62.88 -44.08 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.567 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -54.13 -38.19 65.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.383 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -67.31 -35.42 79.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.523 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.2 t -65.92 -27.12 40.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.529 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.4 t -63.35 -45.91 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.468 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -63.11 -42.29 99.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.623 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.45 -43.4 98.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.48 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 75.6 mmm -64.3 -40.6 96.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.665 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -60.69 -43.12 98.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.53 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.41 -43.03 98.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.53 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -58.87 -41.09 86.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.269 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.7 t -65.01 -42.19 94.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.623 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.438 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 66.7 t0 -61.4 -34.79 75.95 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.619 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.29 -35.66 81.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.436 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 85.6 t -63.56 -43.4 98.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.399 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.32 -33.94 74.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.514 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 57.22 65.84 1.29 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.508 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -128.63 130.93 47.96 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.983 0.421 . . . . 0.0 110.388 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 31.4 p-10 -87.31 113.67 23.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.394 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -151.86 99.47 2.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.541 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -152.2 -56.67 0.14 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.6 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.518 ' C ' ' H ' ' A' ' 62' ' ' GLU . 10.3 mp -62.5 -41.79 99.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.371 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.7 t 51.29 9.5 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.684 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.518 ' H ' ' C ' ' A' ' 60' ' ' LEU . 72.4 mm-40 53.45 30.4 10.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.423 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 tp -163.11 24.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.676 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -61.64 -46.47 89.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.555 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.8 p-10 -160.2 175.19 13.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.623 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -73.06 142.17 47.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.405 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -131.24 120.31 23.05 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.672 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 69' ' ' ALA . 38.2 p-10 -74.34 -40.9 61.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.859 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.514 ' N ' ' OD1' ' A' ' 68' ' ' ASP . . . -171.48 110.68 0.31 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.377 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.28 125.43 36.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.195 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -63.72 -39.32 94.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.533 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -164.41 -132.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.52 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 74' ' ' ALA . . . -63.04 -39.15 97.7 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 73' ' ' GLY . . . 59.95 120.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.757 0.313 . . . . 0.0 110.515 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.6 t -172.48 31.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.679 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -66.5 -28.22 68.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.55 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -65.22 -38.5 90.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.544 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.29 -38.47 90.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.507 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 68.8 p -64.45 -38.95 92.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.612 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.4 t -61.94 -43.31 99.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.555 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.37 -35.82 81.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.628 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.7 -35.61 76.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.677 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -59.93 -46.03 90.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.434 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.495 ' N ' ' CD2' ' A' ' 84' ' ' LEU . 4.0 mm? -63.55 -41.29 98.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.459 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.06 -37.46 87.27 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.559 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.2 tpt85 -60.32 -46.9 88.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.76 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -64.9 -42.76 94.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.679 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -60.91 -48.92 79.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.527 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 77.6 t-105 -67.49 -47.72 69.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.567 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.436 ' O ' ' O ' ' A' ' 91' ' ' LYS . 30.9 t90 -70.37 -74.46 0.14 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.581 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 90' ' ' TRP . 17.8 tptm 58.84 122.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.599 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -81.29 151.96 27.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.674 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 54.5 mt -63.96 -39.59 94.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.565 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.1 -42.6 95.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.661 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 58.2 mtt -64.46 -38.71 91.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.511 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 92.5 mtp -63.27 -40.88 98.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.484 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.91 -43.97 97.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.403 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.25 -42.78 97.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.339 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.62 -41.8 97.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.219 0.533 . . . . 0.0 110.143 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -56.77 -37.37 76.96 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 80.3 t -61.9 -44.42 98.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.768 0.318 . . . . 0.0 110.509 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.9 mm -64.03 -43.77 97.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.482 0.658 . . . . 0.0 110.418 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 89.8 m -63.63 -36.36 83.56 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.485 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.82 -36.34 78.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.535 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.26 -42.36 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.497 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.4 mm -57.13 -39.08 64.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.27 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.38 -41.69 94.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.416 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.5 mm -64.38 -43.32 97.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.903 0.382 . . . . 0.0 110.39 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.66 -43.71 98.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.44 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.52 -43.31 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.449 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.8 mm -63.61 -44.08 98.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.623 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.406 ' O ' ' OG1' ' A' ' 116' ' ' THR . 78.8 t -66.96 -44.41 88.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.155 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -63.79 -39.25 93.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.787 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -60.14 -45.09 94.2 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.672 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.3 t -70.85 -36.21 72.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.604 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 112' ' ' VAL . 13.2 m . . . . . 0 C--N 1.323 -0.577 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.681 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.5 mtm . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 m -78.62 -7.0 57.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.489 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.76 141.35 58.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.466 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 57.3 p -101.6 2.1 38.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.571 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 61.28 -175.99 0.12 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.479 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -159.25 -165.26 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.488 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 t -148.45 148.56 30.43 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.504 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.571 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 7.6 p -172.18 47.02 0.07 OUTLIER Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 121.543 0.687 . . . . 0.0 110.635 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 8' ' ' VAL . 25.0 Cg_endo -60.78 166.94 9.32 Favored 'Trans proline' 0 C--N 1.296 -2.21 0 C-N-CA 122.534 2.156 . . . . 0.0 112.387 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -50.97 140.28 39.66 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 122.543 2.162 . . . . 0.0 112.279 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.43 168.7 18.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.468 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.69 74.17 7.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.136 0.494 . . . . 0.0 110.482 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -60.26 146.28 96.78 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.889 2.393 . . . . 0.0 111.918 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -128.09 20.48 6.38 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.547 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.8 -34.42 89.89 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -61.68 138.64 58.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.353 . . . . 0.0 110.535 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.31 -25.09 0.02 OUTLIER Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.442 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -47.85 -53.84 12.97 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 18' ' ' GLY . 46.7 Cg_exo -52.79 155.61 10.48 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.588 2.192 . . . . 0.0 112.058 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.3 147.42 83.18 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.761 2.307 . . . . 0.0 112.128 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.3 152.79 3.99 Favored Pre-proline 0 N--CA 1.45 -0.468 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.712 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -64.34 113.29 2.19 Favored 'Trans proline' 0 C--N 1.314 -1.276 0 C-N-CA 122.866 2.378 . . . . 0.0 111.66 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.544 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 42.3 Cg_exo -48.15 -43.77 30.25 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 122.63 2.22 . . . . 0.0 112.165 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 23' ' ' PRO . 34.9 Cg_exo -59.45 144.43 99.41 Favored 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 122.524 2.149 . . . . 0.0 111.975 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.441 ' O ' ' OD1' ' A' ' 25' ' ' ASN . 31.4 p30 -146.86 126.32 13.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.538 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.2 tp -110.81 126.09 54.26 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.538 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.8 p -136.23 156.9 48.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.479 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.3 p -136.85 -38.46 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.586 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -95.02 132.8 39.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.31 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -134.1 113.87 12.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.494 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 90.9 mtm180 -87.32 -10.76 51.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.692 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.4 mt -62.2 -26.93 68.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.538 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -53.29 -40.32 64.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.649 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -66.15 -34.27 77.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.754 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.7 m -62.55 -47.06 85.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -80.75 -15.37 56.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.585 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.3 -43.51 92.61 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.633 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -64.92 -39.67 93.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.377 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.15 -43.02 92.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.404 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -65.04 -19.8 66.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.469 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 -64.76 -31.35 72.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.467 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.4 t -62.74 -15.51 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.569 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.512 ' CG1' ' N ' ' A' ' 44' ' ' ASP . 7.3 p -58.03 -44.35 86.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 -179.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.512 ' N ' ' CG1' ' A' ' 43' ' ' VAL . 48.7 t0 -54.11 -41.28 68.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.283 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 35.7 mm -63.51 -42.38 95.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.607 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 56.3 ttp -66.49 -36.4 82.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.604 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.16 -48.15 82.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.3 m -70.53 -27.21 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.884 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -63.04 -36.88 85.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.453 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.6 t -62.64 -39.01 83.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.329 0.585 . . . . 0.0 110.571 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -71.16 -35.5 71.68 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.895 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -65.8 -46.82 77.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.6 p -71.58 -27.52 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.753 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 63.3 tp -61.99 -43.65 98.4 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.795 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -172.86 136.81 0.71 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.618 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -64.58 -43.5 93.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.97 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -72.48 143.91 48.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.393 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -65.18 -17.04 64.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.634 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 76.3 tttt 61.53 40.28 13.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.66 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.3 tp -63.41 -42.46 98.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.611 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.526 ' C ' ' H ' ' A' ' 63' ' ' LEU . 1.2 t 171.66 -83.55 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.574 -179.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 69.11 -40.72 0.46 Allowed 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.396 0.435 . . . . 0.0 110.576 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.526 ' H ' ' C ' ' A' ' 61' ' ' SER . 58.9 tp -62.64 -43.94 97.54 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.596 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -82.33 117.94 22.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.243 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -90.43 -137.2 0.13 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.319 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -61.0 -43.59 98.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.483 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 61.12 123.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.652 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.3 p30 -87.66 6.63 33.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.581 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 54.46 -109.58 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.624 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 39.4 tp 52.8 94.63 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.743 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -62.76 -35.16 78.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.677 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.19 141.87 58.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.485 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 165.0 -92.57 0.11 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -159.27 153.58 23.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.338 . . . . 0.0 110.595 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.55 ' C ' ' H ' ' A' ' 77' ' ' PHE . 5.6 t -60.34 -44.56 95.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.586 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.577 ' C ' ' H ' ' A' ' 78' ' ' GLU . 41.6 tt0 58.76 1.2 0.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.396 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.55 ' H ' ' C ' ' A' ' 75' ' ' SER . 74.0 m-85 58.25 -0.3 0.11 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.762 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.577 ' H ' ' C ' ' A' ' 76' ' ' GLN . 51.5 tp10 -67.73 -31.87 72.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.488 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -33.59 75.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.431 -179.376 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.459 ' HG ' ' N ' ' A' ' 81' ' ' ALA . 93.6 p -58.64 -37.52 76.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.66 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.459 ' N ' ' HG ' ' A' ' 80' ' ' SER . . . -62.31 -27.63 69.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.617 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.05 -38.52 86.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.523 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -62.78 -42.32 99.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.566 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.464 ' CD1' ' N ' ' A' ' 84' ' ' LEU . 9.7 mp -65.95 -37.58 86.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.335 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -59.88 -32.23 70.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.518 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -44.33 -60.3 1.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.533 ' O ' ' N ' ' A' ' 89' ' ' TRP . 67.9 mttm -85.96 -44.32 12.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.763 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.455 ' O ' ' O ' ' A' ' 91' ' ' LYS . 69.2 t80 61.84 -67.02 0.07 Allowed 'General case' 0 C--O 1.231 0.107 0 O-C-N 123.43 0.456 . . . . 0.0 110.47 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.533 ' N ' ' O ' ' A' ' 87' ' ' LYS . 29.6 t90 -57.14 -51.09 70.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.389 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 26.7 t-105 -69.94 -52.25 26.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.682 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 88' ' ' TYR . 68.7 mttm -102.51 130.25 49.28 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.362 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -156.47 162.47 39.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.447 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' A' ' 93' ' ' LEU . 10.0 mp -83.68 0.52 46.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.477 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 66.6 tttm -61.24 -37.1 81.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.557 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 98.2 mtp -63.49 -36.25 83.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.595 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.0 mmt -62.01 -39.32 91.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.416 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.404 HG22 HD11 ' A' ' 97' ' ' ILE . 36.7 mm -63.08 -43.9 99.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.511 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.85 -43.54 98.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.393 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.7 mt -61.71 -39.2 90.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.679 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.455 ' O ' ' SG ' ' A' ' 103' ' ' CYS . . . -61.27 -34.96 90.09 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 72.0 t -61.51 -45.42 98.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.724 0.297 . . . . 0.0 110.496 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.406 ' O ' ' CG1' ' A' ' 105' ' ' ILE . 64.5 mt -60.56 -50.29 80.98 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.586 0 CA-C-O 121.269 0.557 . . . . 0.0 110.541 -179.324 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.455 ' SG ' ' O ' ' A' ' 100' ' ' GLY . 13.2 p -64.98 -25.29 67.8 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.14 0.495 . . . . 0.0 110.593 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.75 -52.92 61.03 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.068 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.406 ' CG1' ' O ' ' A' ' 102' ' ' ILE . 6.2 pt -62.64 -39.28 84.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.903 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.91 -41.91 77.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.2 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 80.2 mt -59.42 -38.86 81.72 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.272 -178.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.403 HG22 HD12 ' A' ' 108' ' ' ILE . 36.8 mm -59.96 -42.8 90.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.681 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.424 HG23 HD12 ' A' ' 109' ' ' ILE . 36.6 mm -62.93 -42.92 98.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.662 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 95.0 mt -62.44 -43.75 98.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.434 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.417 HG22 HD12 ' A' ' 111' ' ' ILE . 32.6 mm -64.36 -44.16 97.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.797 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.441 ' O ' ' OG1' ' A' ' 116' ' ' THR . 69.7 t -66.41 -42.95 91.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.224 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -60.11 -41.09 91.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.846 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -59.03 -42.58 90.55 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.541 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 83.8 p -79.64 -8.32 59.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.823 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 112' ' ' VAL . 16.3 m . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.669 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.771 0.319 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 36.0 m -68.06 -24.97 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.564 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -61.66 -42.47 98.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.595 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -67.99 -31.6 71.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.434 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.4 t -64.53 -25.47 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.57 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.3 t -62.5 -44.92 99.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.356 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -62.36 -43.15 99.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.464 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.15 -43.81 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.53 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.452 ' SD ' ' C ' ' A' ' 46' ' ' MET . 18.8 tmm? -61.85 -40.84 96.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.458 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -60.38 -42.94 96.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.562 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.432 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 88.3 t -63.29 -43.77 98.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.738 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -57.03 -37.56 71.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.351 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.05 -44.66 99.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.032 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 48' ' ' VAL . 1.9 p30 -87.27 -8.69 56.49 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 48' ' ' VAL . 63.4 tttp . . . . . 0 N--CA 1.454 -0.26 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.623 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.2 p . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.798 0.332 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.7 t -61.27 -43.76 98.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.648 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.19 -28.03 68.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.697 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.67 -38.18 86.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.587 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -63.4 -43.4 97.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.491 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.524 ' N ' HD12 ' A' ' 84' ' ' LEU . 10.5 mp -63.3 -42.8 99.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.45 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -64.95 -35.99 82.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.642 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.685 -179.486 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 CA--C 1.522 -0.126 0 CA-C-O 120.814 0.34 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -61.24 -38.72 87.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.533 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 87.9 mmm -63.49 -35.79 81.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.444 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 15.9 tpp -75.37 -40.49 58.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.729 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.65 -46.3 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.87 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 99' ' ' LEU . 21.0 tt -70.05 -37.95 73.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.518 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.436 ' N ' HG23 ' A' ' 98' ' ' ILE . 48.6 tp -61.55 -41.81 97.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.512 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.91 -36.78 93.32 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.56 -46.72 95.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.721 0.296 . . . . 0.0 110.532 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 59.1 mt -62.1 -48.23 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.182 0.515 . . . . 0.0 110.668 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 80.6 m -61.81 -36.31 80.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.609 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.68 -37.59 79.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.511 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.98 -43.32 97.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.465 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.53 -42.64 96.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.417 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.7 -41.65 97.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.547 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.36 -43.3 98.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.383 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.87 -43.6 99.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.7 -43.64 98.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.407 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.9 mm -63.66 -44.22 98.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.682 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.504 ' O ' ' N ' ' A' ' 116' ' ' THR . 69.8 t -67.29 -43.78 87.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.192 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -61.09 -44.86 96.72 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.811 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -60.46 -44.93 95.35 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.765 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 80.3 p -85.29 -13.56 49.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.8 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 112' ' ' VAL . 9.6 m . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.824 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.879 0.371 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.512 HG13 ' N ' ' A' ' 40' ' ' ASP . 13.6 p -61.92 -41.9 92.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.423 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.512 ' N ' HG13 ' A' ' 39' ' ' VAL . 97.7 m-20 -63.85 -35.91 82.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.581 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -61.56 -40.31 94.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.391 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.8 t -63.25 -43.28 98.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.375 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.8 t -60.39 -44.2 95.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.249 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -59.78 -43.13 94.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.503 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.83 -43.36 97.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.978 0.418 . . . . 0.0 110.474 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 99.4 mtp -67.59 -36.23 80.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.652 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -59.88 -47.92 83.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.998 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.02 -26.54 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.76 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -62.06 -39.7 93.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.484 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.1 t -63.52 -42.71 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.615 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -75.64 -20.68 58.32 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.733 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.1 tttp . . . . . 0 C--N 1.331 -0.214 0 CA-C-O 120.94 0.4 . . . . 0.0 110.55 -179.916 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.9 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.655 0.264 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.4 t -61.67 -44.03 97.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.6 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.65 -34.17 77.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.749 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.86 -36.32 72.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.562 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -61.42 -42.78 99.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.41 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.549 ' N ' HD12 ' A' ' 84' ' ' LEU . 10.5 mp -62.81 -41.83 99.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.921 0.391 . . . . 0.0 110.264 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.18 -41.9 98.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.673 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 . . . . . 0 C--N 1.322 -0.59 0 CA-C-O 121.0 0.429 . . . . 0.0 110.925 -179.767 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 56.3 mt . . . . . 0 CA--C 1.524 -0.046 0 CA-C-O 120.825 0.345 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.77 -41.27 86.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.412 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 64.8 mtt -63.73 -37.97 89.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.476 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 27.1 ttt -60.57 -41.64 95.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.49 -44.09 98.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.362 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.84 -42.89 97.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.418 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.21 -42.03 94.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.485 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -60.65 -37.26 93.18 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 73.5 t -62.14 -46.83 95.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.829 0.347 . . . . 0.0 110.582 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 56.2 mt -63.26 -48.18 88.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.235 0.54 . . . . 0.0 110.56 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 90.3 m -61.39 -36.16 79.51 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.578 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.55 -36.06 77.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.563 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.85 -43.2 97.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.622 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.84 -41.86 92.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.45 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.6 -37.98 76.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.529 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 94.9 mt -60.67 -41.91 89.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.867 0.365 . . . . 0.0 110.512 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 33.6 mm -56.42 -40.76 69.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.012 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 34.7 mm -61.83 -44.11 98.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.412 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 45.6 mm -62.9 -48.26 88.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 116' ' ' THR . 89.7 t -66.3 -43.73 91.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.266 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -60.37 -42.97 96.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.843 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -59.22 -44.37 92.3 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.735 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.3 m -85.36 -14.77 45.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.778 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 112' ' ' VAL . 11.6 m . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.999 -1.001 . . . . 0.0 111.026 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.684 0.278 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.9 m -81.49 -12.73 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.631 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -63.33 -37.95 89.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.547 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.58 -36.53 84.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.517 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.7 t -65.59 -42.49 93.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.567 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 77.5 t -60.47 -44.85 97.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.284 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -60.86 -44.18 97.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.573 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.94 -43.46 97.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-O 121.059 0.457 . . . . 0.0 110.372 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 49.0 ttp -65.24 -38.38 90.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.684 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.403 ' NH1' ' OD2' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -58.16 -47.71 82.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.057 -179.164 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.7 p -73.39 -26.27 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.747 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -61.97 -35.66 79.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.272 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.0 t -64.1 -42.4 95.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.403 ' OD2' ' NH1' ' A' ' 47' ' ' ARG . 90.1 m-20 -65.59 -12.72 55.61 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.904 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.5 tttt . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.344 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.8 p . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.839 0.352 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.7 m -62.03 -38.14 87.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.692 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.21 89.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.647 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.71 -41.53 81.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.384 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -63.03 -42.71 99.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.462 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.97 -42.08 97.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.707 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -59.78 -34.26 72.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.607 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.654 -179.78 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 93' ' ' LEU . 10.7 mp . . . . . 0 CA--C 1.528 0.123 0 CA-C-O 120.79 0.328 . . . . 0.0 110.444 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -59.01 -40.13 83.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.523 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 36.7 ttm -61.69 -41.05 97.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.48 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 66.2 mtt -63.68 -41.29 98.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.533 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.27 -43.86 97.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.468 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.62 -43.18 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.21 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 53.8 tp -61.59 -41.92 98.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.53 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -59.01 -41.71 96.57 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.434 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 72.8 t -63.45 -46.91 93.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.798 0.332 . . . . 0.0 110.591 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 72.8 mt -62.21 -45.36 98.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.299 0.571 . . . . 0.0 110.381 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 68.7 m -57.28 -31.6 65.78 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.27 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -59.6 -39.27 83.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.54 ' N ' HD12 ' A' ' 105' ' ' ILE . 1.8 mp -63.87 -45.42 97.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.521 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.54 -42.18 94.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.426 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 5.4 tt -56.3 -39.02 72.05 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.914 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 94.4 mt -61.06 -41.71 90.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.391 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 31.8 mm -53.93 -37.53 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.512 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.11 -45.2 99.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.433 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.524 ' N ' HD12 ' A' ' 111' ' ' ILE . 1.4 mp -66.26 -44.54 91.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.825 0.345 . . . . 0.0 110.334 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 91.0 t -66.05 -43.53 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.2 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.576 ' O ' HG22 ' A' ' 116' ' ' THR . 92.1 t80 -60.44 -43.32 96.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.715 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -63.07 -42.87 99.76 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.779 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.3 m -73.47 -15.09 61.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.012 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 113' ' ' TYR . 8.6 t . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.899 -1.048 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.863 0.363 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.03 -22.42 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.649 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -62.62 -32.23 73.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.501 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -78.48 -34.39 47.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.697 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.0 t -61.92 -46.86 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.403 ' H ' HG22 ' A' ' 43' ' ' VAL . 10.7 m -59.61 -41.71 85.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.459 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -62.13 -42.59 99.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.379 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.89 -43.23 97.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.655 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 48.1 ttp -64.16 -39.31 93.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.417 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -58.24 -43.89 88.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.601 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 80.4 t -61.73 -43.94 97.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.543 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -60.32 -40.7 91.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.163 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.91 -42.35 88.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.162 0.506 . . . . 0.0 110.665 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -68.41 -20.95 64.69 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.486 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.2 tttm . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.657 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.1 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.926 0.393 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 95.1 p -59.99 -34.34 73.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.569 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.31 -36.1 82.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.614 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.68 -35.76 77.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.582 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -59.14 -45.75 90.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.596 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.534 ' N ' HD12 ' A' ' 84' ' ' LEU . 10.6 mp -63.02 -41.83 99.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.551 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.39 -40.36 97.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.38 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.764 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 48.7 tp . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -59.58 -34.11 72.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.347 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 97.5 mmm -61.97 -32.42 72.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.45 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 60.7 mtt -65.92 -41.32 91.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.676 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.55 HD12 ' N ' ' A' ' 97' ' ' ILE . 1.8 mp -60.52 -52.28 63.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.763 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.459 HG23 ' N ' ' A' ' 99' ' ' LEU . 13.9 tt -69.34 -40.67 80.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.388 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.459 ' N ' HG23 ' A' ' 98' ' ' ILE . 57.5 tp -62.68 -41.56 99.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.504 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -60.13 -40.38 97.1 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.58 -47.29 93.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.334 . . . . 0.0 110.661 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 60.9 mt -62.36 -49.12 85.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.144 0.497 . . . . 0.0 110.777 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.578 ' SG ' ' N ' ' A' ' 104' ' ' ALA . 6.1 p -60.37 -42.61 96.17 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.691 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.578 ' N ' ' SG ' ' A' ' 103' ' ' CYS . . . -53.12 -37.31 61.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.52 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.17 -42.79 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.425 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.05 -41.49 89.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.404 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.5 mp -59.37 -37.86 79.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.704 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 92.8 mt -61.62 -43.22 96.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.121 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.8 mm -63.54 -43.44 98.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.472 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.1 -43.45 98.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.254 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.44 -44.01 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.696 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.32 -43.43 87.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.336 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -60.45 -42.59 96.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.769 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -59.16 -44.57 92.13 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.579 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.7 t -62.77 -42.24 99.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.594 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--N 1.326 -0.43 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.847 -179.946 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.852 0.358 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.502 ' O ' HG12 ' A' ' 42' ' ' VAL . 29.4 m -69.61 -26.01 29.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.718 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 40' ' ' ASP . 66.8 t0 -63.38 -33.82 76.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.629 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -51.57 -19.9 1.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.617 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.502 HG12 ' O ' ' A' ' 39' ' ' VAL . 9.9 p -57.46 -27.59 29.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.477 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.581 HG13 ' N ' ' A' ' 44' ' ' ASP . 7.4 p -60.26 -45.12 96.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.098 0.475 . . . . 0.0 110.638 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.581 ' N ' HG13 ' A' ' 43' ' ' VAL . 48.8 t0 -61.97 -36.35 81.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.4 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.6 mm -62.37 -43.28 97.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.595 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 83.9 mmm -61.76 -39.25 90.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.798 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -61.01 -41.07 95.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.556 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.96 -42.68 96.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -59.35 -40.31 85.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.292 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.0 t -63.83 -39.78 86.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.719 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.85 -38.6 82.59 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.71 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--N 1.327 -0.39 0 CA-C-O 120.945 0.403 . . . . 0.0 110.434 179.565 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 31.1 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.71 0.29 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.4 t -60.98 -43.74 98.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.554 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.82 -37.5 87.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.759 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.78 -32.64 70.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.358 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -61.56 -45.07 95.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.556 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 84' ' ' LEU . 10.4 mp -63.02 -42.28 99.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.395 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -62.54 -43.67 98.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.725 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.541 -179.925 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.8 mt . . . . . 0 CA--C 1.523 -0.063 0 CA-C-O 120.668 0.27 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -62.0 -40.34 95.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.569 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 4.0 mmt -63.33 -36.13 82.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.451 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 37.8 tpp -59.48 -39.18 82.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.3 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 35.4 mm -62.52 -43.58 98.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.409 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 35.4 mm -63.63 -43.68 98.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.444 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.34 -39.6 91.17 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.644 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -59.88 -33.19 77.4 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.415 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 91.4 t -61.91 -47.64 92.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.92 0.391 . . . . 0.0 110.622 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.549 ' N ' HD12 ' A' ' 102' ' ' ILE . 1.5 mp -62.67 -45.59 98.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.439 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.8 p -60.68 -30.88 70.2 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.579 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -55.27 -46.34 76.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.434 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.579 ' N ' HD12 ' A' ' 105' ' ' ILE . 1.7 mp -63.02 -43.84 99.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.4 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 27.3 mm -58.16 -30.86 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.26 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 86.8 mt -83.13 -44.37 15.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.807 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.14 -44.05 97.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.756 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.471 HG23 ' N ' ' A' ' 110' ' ' ILE . 20.6 tt -63.18 -39.68 86.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.59 -179.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.471 ' N ' HG23 ' A' ' 109' ' ' ILE . 3.9 mm -62.73 -44.35 99.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.463 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.9 mm -65.49 -43.83 94.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.479 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 92.2 t -70.79 -26.0 27.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.597 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.08 -44.92 94.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.794 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -62.81 -36.96 84.89 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.748 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.9 t -71.07 -20.51 62.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.714 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.628 -179.833 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.791 0.329 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.9 t -63.71 -45.19 98.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.49 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -64.93 -35.37 80.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -57.7 -33.95 68.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.415 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.3 t -63.9 -43.24 97.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.523 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 92.1 t -60.03 -43.5 92.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.329 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.37 -41.82 97.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.502 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.9 -44.05 97.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.548 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 95.9 mmm -65.7 -38.13 88.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.685 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -60.49 -43.09 97.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.401 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.15 -43.74 98.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.454 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 27.5 t-20 -59.18 -40.56 86.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.182 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 78.8 t -66.08 -41.94 90.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.8 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.54 -9.15 1.49 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.818 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 49' ' ' ASN . 30.4 mmtp . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.366 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.417 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 31.3 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.782 0.325 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.0 m -60.91 -42.51 98.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.649 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.97 -25.89 68.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.667 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 79' ' ' THR . . . -60.54 -35.44 76.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.389 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -61.0 -47.09 88.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.425 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 56.0 mt -64.04 -40.19 95.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.469 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -63.96 -36.8 85.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.779 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.859 -179.455 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.7 tp . . . . . 0 N--CA 1.46 0.033 0 CA-C-O 120.749 0.309 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -47.69 -26.55 1.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.782 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 96.9 mmm -63.34 -41.9 98.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -64.3 -41.39 96.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.53 -44.11 98.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.439 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.9 mm -63.57 -42.95 97.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.324 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.28 -41.36 96.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.427 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.3 -36.15 92.02 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 73.9 t -62.2 -46.48 96.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.764 0.316 . . . . 0.0 110.566 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 59.7 mt -62.7 -48.65 87.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.129 0.49 . . . . 0.0 110.7 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 98.8 m -62.54 -35.83 80.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.678 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.52 -36.64 78.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.528 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.55 -42.56 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.615 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.1 mm -59.23 -38.96 77.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.057 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.3 tp -58.17 -42.44 86.02 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.46 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.9 mm -63.64 -43.85 98.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.803 0.335 . . . . 0.0 110.402 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.41 -43.66 98.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.324 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.09 -43.41 98.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.397 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.9 mm -63.82 -44.14 98.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.484 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 70.1 t -67.41 -43.15 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.325 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -59.62 -44.75 93.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.749 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -60.67 -45.48 93.96 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.694 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 116' ' ' THR . 86.6 p -79.67 -8.81 59.45 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.846 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 115' ' ' SER . 4.3 t . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.899 -1.048 . . . . 0.0 111.586 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 . . . . . 0 N--CA 1.461 0.1 0 CA-C-O 120.896 0.379 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.1 p -67.06 -25.87 35.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.56 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -63.16 -35.97 82.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.668 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -57.01 -24.25 52.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.647 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.0 t -61.05 -22.18 26.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.512 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.68 -43.65 97.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.555 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -57.84 -42.43 84.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.3 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.67 HD12 ' N ' ' A' ' 45' ' ' ILE . 1.9 mp -63.32 -43.39 98.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.535 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 83.7 mtp -61.42 -39.58 91.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.422 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.65 -39.55 94.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.599 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.9 t -64.05 -40.47 89.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.505 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.453 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 47.7 t-20 -56.55 -39.96 74.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.426 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 84.7 t -64.61 -39.16 84.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.15 0.5 . . . . 0.0 110.591 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -61.7 -9.29 5.98 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.886 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 49' ' ' ASN . 30.0 mmtp . . . . . 0 C--N 1.327 -0.403 0 CA-C-O 121.011 0.434 . . . . 0.0 110.436 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.6 p . . . . . 0 CA--C 1.527 0.083 0 CA-C-O 120.823 0.344 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.5 m -61.96 -43.45 98.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.703 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.42 -36.62 84.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.739 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.55 -36.71 69.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.403 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -62.03 -48.27 81.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.866 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.55 ' N ' HD12 ' A' ' 84' ' ' LEU . 10.5 mp -66.39 -39.5 89.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.278 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -60.92 -29.52 69.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.583 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.756 -179.617 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.52 ' N ' HD12 ' A' ' 93' ' ' LEU . 11.0 mp . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.824 0.345 . . . . 0.0 110.471 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -57.25 -41.88 80.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.512 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 70.0 mtm -64.74 -40.0 94.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.566 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 91.2 mtp -63.82 -41.41 97.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.506 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.77 -43.63 98.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.401 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.19 -42.27 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.215 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 48.5 tp -59.31 -40.45 86.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.462 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -60.92 -33.47 83.7 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.92 -43.92 96.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.826 0.346 . . . . 0.0 110.736 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 15.2 mm -63.64 -44.86 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.476 0.655 . . . . 0.0 110.662 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.576 ' SG ' ' N ' ' A' ' 104' ' ' ALA . 8.5 p -63.35 -44.06 95.93 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.554 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.576 ' N ' ' SG ' ' A' ' 103' ' ' CYS . . . -53.05 -36.27 60.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.705 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.11 -42.02 94.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.216 0.531 . . . . 0.0 110.271 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.46 -41.93 94.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.14 -47.9 83.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.729 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 22.1 pt -65.17 -38.63 83.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.338 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 74.5 mt -63.13 -43.59 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.481 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.22 -42.9 98.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.332 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.39 -44.24 99.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.495 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.53 -43.05 87.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.204 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -60.28 -41.45 93.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.791 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -59.9 -44.48 94.23 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.72 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.3 m -69.02 -34.31 75.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.566 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.6 m . . . . . 0 C--N 1.323 -0.576 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.687 -179.829 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.862 0.363 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 86.1 t -63.8 -25.68 38.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.489 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -82.32 -20.66 36.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.484 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -71.12 -40.54 71.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.047 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.435 HG22 ' H ' ' A' ' 42' ' ' VAL . 11.0 m -65.85 -20.34 27.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-O 120.828 0.347 . . . . 0.0 110.818 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.2 t -62.12 -43.1 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.415 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -60.36 -39.99 89.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.589 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.595 HD12 ' N ' ' A' ' 45' ' ' ILE . 1.7 mp -63.96 -44.6 97.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.125 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 48.2 mtt -62.41 -38.92 91.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.485 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -58.25 -43.02 87.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.601 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.0 t -63.09 -43.43 98.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -61.25 -41.17 96.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.064 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.427 ' C ' ' H ' ' A' ' 52' ' ' LYS . 82.5 t -67.66 -41.04 85.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.84 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -53.91 -10.03 0.29 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.681 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.427 ' H ' ' C ' ' A' ' 50' ' ' VAL . 57.4 mtpt . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.38 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 58.9 p . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.886 0.374 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.8 t -61.64 -43.34 99.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.597 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.32 -38.12 89.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.731 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.61 95.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.644 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -63.39 -41.78 98.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.373 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.32 -43.31 99.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.266 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -62.73 -42.54 99.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.765 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.842 -179.748 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 79.6 mt . . . . . 0 N--CA 1.461 0.112 0 CA-C-O 120.868 0.366 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -62.51 -38.55 90.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.268 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 96.4 mmm -62.3 -38.26 88.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.544 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 67.3 mtt -60.67 -35.49 76.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.419 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 61.5 mt -62.17 -41.85 92.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.492 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 32.1 mm -57.3 -46.79 85.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.374 -178.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.47 ' N ' HD12 ' A' ' 99' ' ' LEU . 10.9 mp -63.31 -40.51 97.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 110.369 179.248 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.36 -36.62 92.77 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.96 -47.15 91.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.805 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 60.1 mt -62.1 -48.16 89.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.321 0.581 . . . . 0.0 110.963 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 104' ' ' ALA . 5.5 p -57.4 -37.12 72.21 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.401 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.455 ' N ' ' SG ' ' A' ' 103' ' ' CYS . . . -58.29 -34.26 70.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.638 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 20.1 mm -63.64 -43.37 98.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.711 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.9 mm -56.0 -37.7 49.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.32 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 57.2 mt -60.99 -37.06 81.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.427 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 61.5 mt -57.09 -41.5 77.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.448 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.561 ' N ' HD12 ' A' ' 109' ' ' ILE . 1.8 mp -60.43 -41.22 86.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.003 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 33.9 mm -61.15 -44.64 98.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.457 -178.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 44.3 mm -63.69 -47.57 90.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.332 . . . . 0.0 110.864 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.439 ' O ' ' OG1' ' A' ' 116' ' ' THR . 85.6 t -66.07 -43.43 92.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.237 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -60.03 -43.95 94.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.793 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -60.29 -44.11 95.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.823 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 77.7 p -71.05 -22.12 62.17 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.603 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 112' ' ' VAL . 6.4 m . . . . . 0 C--N 1.324 -0.526 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.616 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.803 0.335 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.2 t -62.85 -44.45 99.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.39 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -64.13 -34.84 78.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.025 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.428 ' O ' ' OD2' ' A' ' 44' ' ' ASP . 83.1 tt0 -60.91 -31.05 70.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.573 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.5 t -63.82 -18.61 22.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.622 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.5 t -60.93 -47.74 92.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.738 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' A' ' 41' ' ' GLU . 0.7 OUTLIER -67.67 -38.05 83.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.561 179.729 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.9 mm -64.76 -44.05 96.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.469 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 62.7 ttp -61.92 -39.61 92.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.368 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -58.92 -43.37 91.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.468 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.63 -42.93 97.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.555 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -60.03 -41.34 92.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.043 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.81 -43.44 89.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.106 0.479 . . . . 0.0 110.654 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.14 -19.5 64.82 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.617 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.424 179.652 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 68.7 p . . . . . 0 CA--C 1.527 0.085 0 CA-C-O 120.705 0.288 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 78.1 p -62.45 -39.89 94.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.488 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.74 -36.27 83.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.578 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.32 -36.15 79.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.491 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -62.6 -42.06 99.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.617 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.13 -41.8 99.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.613 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -77.44 -18.12 57.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.563 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 . . . . . 0 C--N 1.327 -0.406 0 CA-C-O 121.141 0.496 . . . . 0.0 110.744 -179.637 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.4 pp . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.864 0.364 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -62.37 -42.63 99.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.362 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 96.8 mtp -63.72 -34.27 77.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.764 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 80.5 mtp -62.14 -36.04 80.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.633 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.04 -45.58 98.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.38 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.54 ' N ' HD12 ' A' ' 98' ' ' ILE . 1.5 mp -65.71 -44.37 93.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.937 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.51 -41.21 96.97 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.523 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -56.58 -37.95 78.58 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 74.6 t -61.08 -45.27 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.413 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.6 mm -64.43 -44.46 97.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.429 0.633 . . . . 0.0 110.457 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 90.0 m -63.82 -37.82 88.79 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.609 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.95 74.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.422 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.5 -43.41 98.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.505 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 30.3 mm -54.67 -37.47 39.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.181 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 61.0 mt -61.85 -40.6 95.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.551 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.9 mt -50.6 -40.59 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.53 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.679 ' N ' HD12 ' A' ' 109' ' ' ILE . 1.9 mp -61.97 -42.74 95.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.488 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.74 -43.8 97.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.545 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.1 mp -64.28 -45.2 96.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.274 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 77.9 t -64.95 -44.94 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.268 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -65.8 -38.76 89.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.712 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -60.34 -45.48 93.31 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.627 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 116' ' ' THR . 6.4 m -68.77 -18.04 64.14 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.952 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 115' ' ' SER . 3.9 t . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.95 -1.024 . . . . 0.0 111.393 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.895 0.378 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.7 p -59.31 -30.9 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.392 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.469 ' O ' HG12 ' A' ' 43' ' ' VAL . 65.2 t0 -64.25 -39.69 94.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.547 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -66.68 -35.99 81.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.579 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.406 ' O ' HG12 ' A' ' 42' ' ' VAL . 97.7 t -53.21 -15.99 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.506 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.596 HG13 ' N ' ' A' ' 44' ' ' ASP . 9.5 p -60.07 -46.42 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.009 0.433 . . . . 0.0 110.591 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.596 ' N ' HG13 ' A' ' 43' ' ' VAL . 64.4 t0 -62.44 -42.69 99.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.522 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 35.2 mm -63.68 -43.76 98.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.475 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 37.0 ttm -61.86 -40.07 94.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.534 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -59.61 -42.75 93.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.314 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.46 -43.73 98.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.572 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -61.03 -41.16 96.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.171 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.3 t -67.11 -38.59 81.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.106 0.479 . . . . 0.0 110.858 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 35.4 t0 -53.01 -17.76 1.64 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.739 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.444 179.82 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 62.5 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.938 0.399 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.1 m -60.86 -42.41 97.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.603 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.2 -17.59 49.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.711 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.22 -28.36 69.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.549 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -64.42 -43.54 94.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.723 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.549 ' N ' HD12 ' A' ' 84' ' ' LEU . 10.2 mp -63.4 -41.08 98.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.336 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -63.04 -41.88 99.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.439 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 . . . . . 0 C--N 1.326 -0.454 0 CA-C-O 121.022 0.439 . . . . 0.0 110.577 -179.925 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.8 tp . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 120.778 0.323 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.2 -39.52 94.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.519 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 26.0 tpp -62.54 -39.91 95.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.513 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 47.7 ttp -60.13 -44.08 95.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.581 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 65.2 mt -64.91 -45.31 95.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.467 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.9 mm -64.08 -43.48 97.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.446 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.9 tp -61.38 -38.79 88.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.326 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -58.65 -34.59 77.35 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 79.7 t -61.28 -47.67 92.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.509 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 102' ' ' ILE . 1.7 mp -63.79 -43.77 98.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.24 0.543 . . . . 0.0 110.437 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 92.2 m -60.31 -35.64 76.05 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.445 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.86 -34.98 73.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.3 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 21.4 mm -63.57 -43.52 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.115 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.27 -42.66 96.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.166 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.28 -42.62 98.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.693 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 91.3 mt -62.26 -42.83 96.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.392 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.16 -43.03 97.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.482 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.31 -44.79 99.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.395 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.1 mm -65.24 -44.54 95.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.74 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 73.1 t -67.28 -42.88 88.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.254 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -60.36 -44.37 95.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.808 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -62.52 -26.97 68.84 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.668 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 72.4 p -82.08 -10.9 59.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.546 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.5 m . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.535 -179.937 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.813 0.339 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 40' ' ' ASP . 9.3 p -64.83 -39.67 86.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.522 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.471 ' N ' HG13 ' A' ' 39' ' ' VAL . 93.5 m-20 -68.92 -20.65 64.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.793 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -65.97 -40.55 91.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.548 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.9 t -64.04 -43.93 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.398 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.2 t -60.29 -42.39 90.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.224 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.88 -40.77 94.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.597 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.9 -43.76 97.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.704 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 68.8 mmm -64.43 -39.95 94.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.461 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -61.92 -42.92 99.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.611 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 73.7 t -64.12 -42.66 96.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -60.2 -40.64 90.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.142 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.7 t -65.03 -43.1 96.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.078 0.466 . . . . 0.0 110.58 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -66.75 -27.94 68.01 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.705 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.035 0.445 . . . . 0.0 110.403 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.1 p . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.804 0.335 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 78.5 p -62.11 -40.01 94.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.585 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.89 -19.93 56.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.706 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.98 97.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.649 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.84 -44.92 91.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.726 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.9 mt -63.17 -42.06 99.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.445 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -60.4 -42.47 96.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.587 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.74 179.91 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.868 0.366 . . . . 0.0 110.063 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.34 -36.8 78.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.404 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 73.9 mtm -63.39 -39.06 93.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.426 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 90.1 mmm -66.47 -39.35 88.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.3 -49.6 83.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.106 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.0 tt -66.69 -38.01 80.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.673 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 31.2 mt -62.98 -39.76 95.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.343 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.15 -33.81 85.63 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 85.6 t -62.99 -44.24 99.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.812 0.339 . . . . 0.0 110.729 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 12.9 mm -63.57 -45.21 98.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.205 0.526 . . . . 0.0 110.583 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 104' ' ' ALA . 5.6 p -64.07 -37.92 89.19 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.557 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.473 ' N ' ' SG ' ' A' ' 103' ' ' CYS . . . -59.82 -37.65 79.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.593 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.3 -43.38 98.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.508 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 63.1 mt -57.76 -30.89 38.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.142 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 53.5 tp -68.52 -36.27 78.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.757 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 42.0 mm -59.76 -48.45 87.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.209 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 18.5 pt -65.21 -39.46 85.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.842 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 78.0 mt -60.83 -42.32 92.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.5 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.9 mm -61.45 -42.08 92.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.336 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 116' ' ' THR . 81.0 t -60.81 -45.39 98.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.826 0.346 . . . . 0.0 110.123 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -63.67 -38.46 91.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -60.27 -45.18 94.21 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.809 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.5 m -89.98 -15.82 31.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.863 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.0 m . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 118.099 -0.953 . . . . 0.0 111.114 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.87 0.367 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.5 p -60.64 -26.82 39.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.363 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -61.5 -37.72 84.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.497 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.44 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 76.6 mm-40 -65.68 -29.53 70.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.472 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 82.4 t -69.59 -25.09 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.742 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.5 t -62.05 -47.1 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.715 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 41' ' ' GLU . 2.4 p-10 -71.69 -39.63 70.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.728 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.55 -43.9 98.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.928 0.394 . . . . 0.0 110.448 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.8 ttm -61.54 -39.83 92.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.531 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -57.77 -42.72 84.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.511 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.89 -43.09 94.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.513 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -58.25 -37.6 75.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.26 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.48 -29.55 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.086 0.47 . . . . 0.0 110.536 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -78.37 -28.58 47.11 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.802 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.9 mttm . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.986 0.422 . . . . 0.0 110.971 179.633 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.524 HG23 ' N ' ' A' ' 80' ' ' SER . 11.6 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.792 0.329 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.524 ' N ' HG23 ' A' ' 79' ' ' THR . 94.7 p -60.81 -37.04 80.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.516 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.04 -22.2 65.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.6 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.38 -36.0 80.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.627 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -61.44 -42.27 98.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.464 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.2 tp -63.3 -42.7 99.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.489 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.43 -43.54 98.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.428 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.771 -179.93 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 49.2 tp . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.792 0.329 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -59.75 -39.8 86.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.393 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 65.0 mtt -63.97 -37.43 87.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.394 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 6.9 ttt -61.2 -35.74 77.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.78 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 95.4 mt -61.75 -42.37 94.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.266 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 96.6 mt -58.84 -47.08 90.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.567 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.468 ' N ' HD22 ' A' ' 99' ' ' LEU . 4.0 mm? -64.6 -38.05 89.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.366 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -58.29 -38.92 91.74 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.32 -47.87 91.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.464 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 53.8 mt -62.43 -47.92 90.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.407 0.622 . . . . 0.0 110.588 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 93.1 m -58.69 -38.87 79.2 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.409 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.06 -35.0 64.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.28 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 67.6 mt -63.28 -42.06 95.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.595 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 64.6 mt -60.8 -43.59 95.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.654 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.05 -41.27 97.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.509 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.401 ' O ' HG23 ' A' ' 112' ' ' VAL . 96.8 mt -63.16 -43.24 98.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.432 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.39 -43.34 98.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.396 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 93.8 mt -61.94 -43.01 96.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.39 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.21 -42.13 94.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.654 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 108' ' ' ILE . 52.1 t -57.36 -29.91 34.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -96.16 -17.52 20.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.489 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -61.35 -45.42 94.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.062 0.458 . . . . 0.0 110.897 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 116' ' ' THR . 8.6 t -63.36 -20.41 65.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.946 -179.507 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 115' ' ' SER . 4.9 t . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.038 -0.982 . . . . 0.0 111.364 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.784 0.326 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.6 m -62.09 -7.29 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.373 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 41' ' ' GLU . 42.2 p-10 -63.88 -35.66 81.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.522 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.505 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 98.1 mt-10 -66.36 -38.19 87.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.714 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.478 ' O ' ' SD ' ' A' ' 46' ' ' MET . 91.2 t -54.3 -16.78 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.491 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.17 -43.56 98.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.637 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 45' ' ' ILE . 2.5 p30 -62.84 -35.06 78.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.609 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.533 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 57.6 mt -63.63 -43.86 98.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.463 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.569 ' SD ' ' N ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -62.88 -38.37 90.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.34 -179.851 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -61.84 -40.65 96.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.51 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.21 -43.46 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.569 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -59.13 -40.47 85.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.048 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.9 t -66.14 -43.57 92.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.14 0.495 . . . . 0.0 110.81 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -74.42 -15.07 60.93 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.839 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.318 -179.89 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.754 0.311 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.7 t -61.45 -43.12 99.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.634 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.56 -38.27 90.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.663 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.85 92.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.419 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -62.48 -45.48 92.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.645 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.2 tp -62.93 -40.6 98.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.183 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -62.87 -41.4 99.36 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.803 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.108 -179.711 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.53 ' N ' HD12 ' A' ' 93' ' ' LEU . 10.4 mp . . . . . 0 CA--C 1.522 -0.119 0 CA-C-O 120.937 0.399 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -58.38 -43.56 88.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.411 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 66.0 mtt -64.74 -39.51 93.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.907 0.384 . . . . 0.0 110.447 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 62.9 ttp -61.52 -40.97 96.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.335 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.93 -43.51 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.497 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.67 -43.14 98.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.333 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.71 -40.31 96.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.65 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.6 -34.92 90.2 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.412 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 73.9 t -61.84 -46.76 95.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.601 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 59.7 mt -59.88 -48.24 88.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.416 0.627 . . . . 0.0 110.619 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 72.2 m -56.56 -35.06 67.73 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.472 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -55.53 -39.44 70.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.589 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.519 ' N ' HD12 ' A' ' 105' ' ' ILE . 1.9 mp -62.85 -40.52 89.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.262 -0.427 . . . . 0.0 109.858 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.54 ' O ' HG22 ' A' ' 109' ' ' ILE . 61.3 mt -57.91 -48.19 84.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.415 -178.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.465 ' N ' HD12 ' A' ' 107' ' ' LEU . 11.0 mp -63.44 -39.88 95.67 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.057 0.456 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 88.7 mt -62.38 -43.18 97.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.003 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.54 HG22 ' O ' ' A' ' 106' ' ' ILE . 1.5 tp -53.21 -33.84 21.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.032 0.444 . . . . 0.0 110.027 -178.664 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 44.4 mm -65.49 -43.02 94.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.697 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 37.5 mm -59.32 -51.87 67.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.018 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.412 HG22 ' H ' ' A' ' 112' ' ' VAL . 15.3 m -67.83 -42.93 86.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.989 0.423 . . . . 0.0 110.544 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.407 ' N ' HG23 ' A' ' 112' ' ' VAL . 87.8 t80 -59.65 -43.57 93.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.814 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -59.9 -43.99 94.5 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.749 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.3 m -85.38 -7.02 59.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.686 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 31.0 m . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.575 -179.895 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.481 ' NE2' ' OE1' ' A' ' 41' ' ' GLU . 61.1 tp60 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.793 0.33 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.545 ' O ' HG12 ' A' ' 42' ' ' VAL . 92.9 t -63.11 -46.47 95.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.512 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 40' ' ' ASP . 65.4 t0 -65.42 -37.41 86.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.609 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.481 ' OE1' ' NE2' ' A' ' 38' ' ' GLN . 97.0 mt-10 -58.96 -19.93 47.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.77 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 39' ' ' VAL . 8.1 p -48.4 -25.58 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.429 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.6 t -61.97 -44.04 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.297 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.401 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 65.5 t0 -58.63 -44.71 90.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.715 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.419 ' H ' HD12 ' A' ' 45' ' ' ILE . 3.7 mp -64.69 -42.56 95.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.39 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 91.2 mtp -61.65 -41.32 97.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.493 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.401 ' HE ' ' HA ' ' A' ' 44' ' ' ASP . 86.5 mtm180 -63.19 -39.55 94.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.578 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.6 t -63.9 -43.87 97.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.607 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -61.5 -42.07 98.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.32 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.405 ' C ' ' H ' ' A' ' 52' ' ' LYS . 99.2 t -71.82 -28.33 30.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.141 0.496 . . . . 0.0 110.851 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -56.18 -9.24 0.61 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.599 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' A' ' 50' ' ' VAL . 63.9 pttt . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.396 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.9 m . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 120.826 0.346 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.2 t -61.64 -43.07 99.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.467 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.88 -37.28 86.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.647 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.84 -47.95 79.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.635 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -61.65 -42.51 98.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.431 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.97 -41.29 97.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.417 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.1 -35.93 78.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.56 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 -179.417 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 83.3 mt . . . . . 0 N--CA 1.461 0.1 0 CA-C-O 120.797 0.332 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -63.73 -34.18 77.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.524 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 97.1 mtp -64.86 -38.95 92.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.658 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 36.9 ttm -61.89 -36.23 80.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.316 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.4 mm -61.68 -46.74 95.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.654 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 35.7 mm -64.51 -43.43 96.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.113 0.483 . . . . 0.0 110.292 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.7 tt -62.02 -39.42 92.21 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.802 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -59.3 -34.76 81.8 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 94.5 t -63.31 -44.86 99.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 110.67 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.8 mm -64.36 -44.14 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.342 0.592 . . . . 0.0 110.453 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 82.8 m -63.09 -36.29 83.09 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.455 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.35 -35.46 77.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.489 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.48 -43.65 98.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.383 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 35.8 mm -63.85 -42.83 97.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.372 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.605 ' O ' HD23 ' A' ' 107' ' ' LEU . 1.6 tt -60.73 -44.11 97.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.119 0.485 . . . . 0.0 110.169 -179.153 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 96.2 mt -62.64 -42.34 95.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.426 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.7 mm -61.51 -42.65 94.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.439 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.07 -43.87 98.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.923 0.392 . . . . 0.0 110.314 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.4 mm -65.21 -43.97 95.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.933 0.397 . . . . 0.0 110.498 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 98.9 t -71.52 -25.36 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.533 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.515 ' O ' HG22 ' A' ' 116' ' ' THR . 91.3 t80 -60.71 -44.69 96.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.631 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -65.67 -38.13 88.44 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.724 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 74.6 m -82.64 -7.66 59.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.813 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 113' ' ' TYR . 13.7 t . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.892 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.875 0.369 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.46 ' O ' HG12 ' A' ' 42' ' ' VAL . 9.1 p -67.57 -37.24 78.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.592 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.424 ' O ' HG12 ' A' ' 43' ' ' VAL . 47.9 t0 -64.97 -22.09 66.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.407 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -55.12 -21.97 14.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.699 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 39' ' ' VAL . 10.1 p -62.05 -22.51 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.489 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.576 HG13 ' N ' ' A' ' 44' ' ' ASP . 9.4 p -58.81 -45.13 91.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.071 0.462 . . . . 0.0 110.536 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.576 ' N ' HG13 ' A' ' 43' ' ' VAL . 99.4 m-20 -57.5 -45.04 85.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.291 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.37 -42.7 97.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.449 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.431 ' SD ' ' C ' ' A' ' 46' ' ' MET . 13.9 tmm? -59.83 -38.77 82.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.602 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 -62.34 -39.35 92.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.513 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.2 t -61.92 -44.4 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.666 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -60.09 -40.31 89.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.944 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.21 -41.42 92.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.71 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.53 -38.26 83.87 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.557 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.951 0.405 . . . . 0.0 110.461 179.874 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 66.3 p . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.875 0.369 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.0 p -63.28 -29.23 70.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.485 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.96 98.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.504 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.06 82.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.857 0.36 . . . . 0.0 110.573 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -65.5 -37.69 87.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.515 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.8 tp -60.59 -42.9 97.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.495 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.19 -40.68 96.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.231 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.051 -179.818 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 41.5 mt . . . . . 0 CA--C 1.522 -0.117 0 CA-C-O 120.802 0.334 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -54.77 -49.74 70.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.105 0.478 . . . . 0.0 110.155 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 37.8 ttm -64.21 -37.12 86.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.388 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 97.4 mmm -63.33 -35.83 81.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.381 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.44 -42.9 97.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.548 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.57 -43.61 98.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.084 0.469 . . . . 0.0 109.944 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.584 ' O ' HD13 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -62.25 -40.3 95.73 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.245 0.545 . . . . 0.0 110.743 -179.033 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -57.52 -33.19 65.99 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.9 t -62.18 -47.02 95.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.323 . . . . 0.0 110.476 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.575 ' N ' HD12 ' A' ' 102' ' ' ILE . 1.7 mp -63.57 -44.77 98.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.242 0.544 . . . . 0.0 110.427 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 97.4 m -64.16 -42.82 96.59 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.576 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.32 -36.59 43.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.629 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.65 -42.37 95.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.538 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.3 mt -60.12 -43.19 92.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.289 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 107' ' ' LEU . 4.2 mm? -63.07 -41.81 99.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.126 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 89.5 mt -60.82 -42.24 91.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.581 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 86.5 mt -56.9 -39.85 67.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.341 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 94.4 mt -60.5 -44.23 96.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.466 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.406 ' N ' HD12 ' A' ' 111' ' ' ILE . 2.1 mp -65.01 -44.48 95.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.272 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 78.0 t -64.81 -39.32 85.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.089 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -53.16 -45.26 68.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.714 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -62.71 -41.23 99.03 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.872 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 78.1 p -71.61 -22.01 61.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.792 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.1 m . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.677 -179.818 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.746 0.308 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.0 t -62.06 -43.63 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.473 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.46 ' O ' HG12 ' A' ' 43' ' ' VAL . 60.2 t0 -60.81 -34.58 74.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.456 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.31 -33.98 77.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.683 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.504 ' O ' HG12 ' A' ' 42' ' ' VAL . 95.5 t -63.3 -7.82 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.582 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.576 HG13 ' N ' ' A' ' 44' ' ' ASP . 7.2 p -60.34 -46.13 95.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.145 0.498 . . . . 0.0 110.644 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.576 ' N ' HG13 ' A' ' 43' ' ' VAL . 98.6 m-20 -63.43 -43.1 98.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.448 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.6 mm -64.94 -43.38 96.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.641 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 45.6 ttp -51.81 -43.72 63.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.463 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -61.18 -43.05 99.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.479 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.9 t -66.22 -42.84 91.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.644 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -57.94 -41.18 82.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.078 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.8 t -64.11 -43.47 97.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.056 0.455 . . . . 0.0 110.734 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -63.34 -33.69 76.08 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.745 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.5 tttp . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.314 -179.831 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 45.1 p . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.767 0.318 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 94.9 p -58.11 -31.58 67.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.444 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.3 -34.02 73.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.493 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.02 -44.89 91.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.662 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -63.61 -38.82 92.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.442 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 48.3 tp -62.72 -42.35 99.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.487 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.1 -38.92 88.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.421 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.656 -179.888 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.557 ' O ' HD13 ' A' ' 93' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 121.224 0.535 . . . . 0.0 110.516 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -64.37 -33.96 77.07 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.47 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 58.1 mtt -62.27 -34.73 77.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.318 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 97.0 mmm -75.4 -38.34 59.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.05 -46.28 88.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.18 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.426 HG23 ' N ' ' A' ' 99' ' ' LEU . 20.5 tt -65.43 -38.59 82.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.619 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.426 ' N ' HG23 ' A' ' 98' ' ' ILE . 32.8 mt -62.7 -39.79 95.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.729 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.08 -33.62 84.79 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.0 t -63.24 -43.78 98.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.81 0.338 . . . . 0.0 110.524 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.6 mm -62.46 -44.48 99.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.339 0.59 . . . . 0.0 110.449 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.5 ' HA ' HD12 ' A' ' 106' ' ' ILE . 11.1 p -70.44 -32.64 70.3 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.832 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.77 -51.01 71.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.011 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 21.5 pt -64.94 -33.85 66.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 103' ' ' CYS . 82.4 mt -62.69 -42.29 95.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.306 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.4 tp -59.19 -42.94 92.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.564 -178.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 40.5 mm -63.01 -42.74 97.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.527 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.09 -42.98 97.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.332 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.7 mt -62.56 -44.74 99.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.521 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 33.1 mm -65.19 -44.48 95.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.764 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 70.4 t -67.31 -43.06 88.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.161 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.56 ' O ' HG22 ' A' ' 116' ' ' THR . 88.5 t80 -61.81 -40.28 94.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.696 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -63.75 -41.82 97.94 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.642 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.8 t -66.9 -19.03 65.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.932 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 113' ' ' TYR . 10.9 t . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.828 -1.082 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 . . . . . 0 C--O 1.229 0.013 0 CA-C-O 120.908 0.385 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.531 ' O ' HG12 ' A' ' 42' ' ' VAL . 95.2 t -64.31 -43.23 97.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.413 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -61.79 -38.03 86.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.661 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -52.78 -18.63 1.96 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.621 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 39' ' ' VAL . 8.8 p -54.53 -29.27 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.329 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 77.3 t -61.36 -44.75 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.503 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.01 -40.35 95.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.446 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.6 mt -78.87 -30.79 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.986 0.422 . . . . 0.0 110.65 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 47.6 ttp -59.56 -48.41 81.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.857 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -65.9 -39.84 90.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.727 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.2 t -66.36 -43.1 91.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.432 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -57.98 -41.28 82.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.128 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.16 -43.64 98.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.084 0.468 . . . . 0.0 110.753 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -64.34 -33.68 76.41 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.355 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.1 tttm . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.351 -179.737 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.447 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.794 0.33 . . . . 0.0 110.514 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.4 m -58.8 -41.99 88.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.622 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.07 -22.78 67.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.713 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 79' ' ' THR . . . -56.18 -35.1 66.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.534 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -59.87 -41.43 91.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.539 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.73 -40.44 97.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.612 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -64.08 -37.02 85.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.697 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.907 -179.624 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.562 ' N ' HD22 ' A' ' 93' ' ' LEU . 3.9 mm? . . . . . 0 CA--C 1.52 -0.201 0 CA-C-O 120.578 0.227 . . . . 0.0 110.671 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -52.62 -34.49 51.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.408 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 42.9 tpp -60.22 -39.4 86.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.059 0.457 . . . . 0.0 110.392 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 28.3 ttt -67.85 -38.07 82.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.515 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 36.3 mm -60.89 -50.53 80.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 13.2 tt -67.8 -37.35 78.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.688 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.58 -41.07 98.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.521 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -62.27 -34.54 89.53 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.6 t -61.56 -45.66 98.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.589 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 59.2 mt -61.45 -50.24 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.788 -179.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 104' ' ' ALA . 8.7 p -60.97 -36.33 79.12 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.63 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.466 ' N ' ' SG ' ' A' ' 103' ' ' CYS . . . -59.51 -38.81 81.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.482 -179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.8 -42.73 97.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.456 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 32.6 mm -57.35 -38.52 62.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.27 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.38 -37.35 80.47 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.581 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.599 ' O ' HG23 ' A' ' 112' ' ' VAL . 35.4 mm -61.82 -42.61 95.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 33.3 mm -69.35 -42.83 81.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.602 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.92 -50.85 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.088 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.414 ' HA ' HD12 ' A' ' 111' ' ' ILE . 10.8 tp -66.78 -37.61 79.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -179.361 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 108' ' ' ILE . 37.5 t -66.08 -39.15 83.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.125 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -56.19 -46.34 79.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.552 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -62.19 -40.52 96.32 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.882 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.2 t -70.93 -33.79 70.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.757 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 C--O 1.219 -0.546 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.656 -179.611 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.84 0.353 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.4 t -62.29 -43.99 98.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.287 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -46.64 -20.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.771 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -93.11 -38.36 11.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.39 -43.02 97.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.666 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 44' ' ' ASP . 9.7 p -54.77 -40.21 50.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.341 0.591 . . . . 0.0 110.46 -179.169 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.478 ' N ' HG13 ' A' ' 43' ' ' VAL . 65.6 t0 -58.75 -41.51 86.7 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.267 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.5 mm -64.28 -42.25 94.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.474 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.5 ttm -57.25 -40.0 76.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.61 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.98 -39.13 93.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.832 0.348 . . . . 0.0 110.561 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.9 t -63.68 -43.14 97.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -58.94 -40.05 83.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.232 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.49 -36.84 78.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.771 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -51.82 -25.3 7.47 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.68 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.25 179.831 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.711 0.291 . . . . 0.0 110.455 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.0 t -60.7 -42.68 97.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.666 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.2 -16.88 64.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.82 -48.8 63.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.474 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -63.35 -41.74 98.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.806 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 52.7 mt -62.5 -41.83 99.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.587 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -62.79 -40.11 96.3 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.578 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.622 -179.672 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.506 ' N ' HD12 ' A' ' 93' ' ' LEU . 10.7 mp . . . . . 0 N--CA 1.462 0.145 0 CA-C-O 120.972 0.415 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -59.22 -39.89 84.14 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.582 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 81.0 mmm -60.87 -38.69 86.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.367 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 66.0 mtt -60.11 -32.59 71.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.617 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 63.7 mt -60.94 -42.36 92.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.352 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.556 ' N ' HD12 ' A' ' 98' ' ' ILE . 1.8 mp -59.56 -42.32 87.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.002 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.2 mp -60.64 -40.98 93.97 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.372 -179.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -62.97 -36.25 93.19 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 73.3 t -62.72 -45.94 97.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.701 0.286 . . . . 0.0 110.684 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 59.7 mt -62.61 -47.69 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.212 0.53 . . . . 0.0 110.497 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 95.3 m -61.82 -36.82 82.28 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.613 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.7 -36.86 79.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.483 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.39 -44.37 97.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.619 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 63.0 mt -61.15 -39.29 81.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.19 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.9 tp -58.51 -37.99 76.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.468 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.559 ' O ' HG23 ' A' ' 112' ' ' VAL . 96.3 mt -61.56 -43.86 97.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 0.0 110.351 -179.063 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 109' ' ' ILE . 3.4 mp -66.93 -43.61 89.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.547 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.32 -52.1 65.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.063 -178.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 10.7 tp -66.81 -37.61 79.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.715 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 108' ' ' ILE . 30.2 t -65.13 -39.51 85.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.003 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -55.35 -46.01 76.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -178.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -61.61 -44.66 96.58 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.525 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.7 t -67.67 -18.39 64.92 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.935 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.8 t . . . . . 0 N--CA 1.468 0.454 0 CA-C-O 118.042 -0.98 . . . . 0.0 111.551 -179.925 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.775 0.321 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.1 t -62.88 -44.08 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.567 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -54.13 -38.19 65.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.383 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -67.31 -35.42 79.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.523 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.2 t -65.92 -27.12 40.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.529 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.4 t -63.35 -45.91 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.468 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -63.11 -42.29 99.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.623 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.45 -43.4 98.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.48 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 75.6 mmm -64.3 -40.6 96.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.665 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -60.69 -43.12 98.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.53 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.41 -43.03 98.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.53 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -58.87 -41.09 86.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.269 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.7 t -65.01 -42.19 94.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.623 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.438 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 66.7 t0 -61.4 -34.79 75.95 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.619 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.436 -179.944 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 68.8 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.879 0.371 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.4 t -61.94 -43.31 99.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.555 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.37 -35.82 81.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.628 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.7 -35.61 76.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.677 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -59.93 -46.03 90.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.434 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.531 HD22 ' N ' ' A' ' 84' ' ' LEU . 4.0 mm? -63.55 -41.29 98.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.459 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.06 -37.46 87.27 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.559 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.2 tpt85 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.76 -179.323 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 54.5 mt . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.779 0.324 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.1 -42.6 95.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.661 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 58.2 mtt -64.46 -38.71 91.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.511 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 92.5 mtp -63.27 -40.88 98.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.484 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.91 -43.97 97.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.403 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.25 -42.78 97.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.339 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 99' ' ' LEU . 1.3 tt -61.62 -41.8 97.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.219 0.533 . . . . 0.0 110.143 -178.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -56.77 -37.37 76.96 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 80.3 t -61.9 -44.42 98.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.768 0.318 . . . . 0.0 110.509 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.9 mm -64.03 -43.77 97.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.482 0.658 . . . . 0.0 110.418 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 89.8 m -63.63 -36.36 83.56 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.485 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.82 -36.34 78.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.535 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.26 -42.36 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.497 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.4 mm -57.13 -39.08 64.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.27 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.38 -41.69 94.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.416 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.5 mm -64.38 -43.32 97.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.903 0.382 . . . . 0.0 110.39 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.66 -43.71 98.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.44 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.52 -43.31 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.449 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.8 mm -63.61 -44.08 98.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.623 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 78.8 t -66.96 -44.41 88.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.155 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -63.79 -39.25 93.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.787 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -60.14 -45.09 94.2 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.672 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.3 t -70.85 -36.21 72.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.604 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.2 m . . . . . 0 C--N 1.323 -0.577 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.681 -179.71 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.814 0.34 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.15 -43.02 92.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.404 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.474 ' O ' HG12 ' A' ' 43' ' ' VAL . 98.3 m-20 -65.04 -19.8 66.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.469 -179.584 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 -64.76 -31.35 72.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.467 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.403 HG12 ' O ' ' A' ' 42' ' ' VAL . 59.4 t -62.74 -15.51 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.569 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.547 HG13 ' N ' ' A' ' 44' ' ' ASP . 7.3 p -58.03 -44.35 86.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 -179.524 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.547 ' N ' HG13 ' A' ' 43' ' ' VAL . 48.7 t0 -54.11 -41.28 68.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.283 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 35.7 mm -63.51 -42.38 95.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.607 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 56.3 ttp -66.49 -36.4 82.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.604 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.16 -48.15 82.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.3 m -70.53 -27.21 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.884 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -63.04 -36.88 85.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.453 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.6 t -62.64 -39.01 83.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.329 0.585 . . . . 0.0 110.571 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -71.16 -35.5 71.68 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.895 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.467 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.792 0.33 . . . . 0.0 110.431 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 93.6 p -58.64 -37.52 76.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.66 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.31 -27.63 69.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.617 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.05 -38.52 86.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.523 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -62.78 -42.32 99.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.566 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.563 ' N ' HD12 ' A' ' 84' ' ' LEU . 9.7 mp -65.95 -37.58 86.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.335 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -59.88 -32.23 70.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.518 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.444 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.57 ' N ' HD12 ' A' ' 93' ' ' LEU . 10.0 mp . . . . . 0 N--CA 1.461 0.107 0 CA-C-O 120.705 0.288 . . . . 0.0 110.477 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 66.6 tttm -61.24 -37.1 81.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.557 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 98.2 mtp -63.49 -36.25 83.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.595 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.0 mmt -62.01 -39.32 91.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.416 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 36.7 mm -63.08 -43.9 99.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.511 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.85 -43.54 98.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.393 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.7 mt -61.71 -39.2 90.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.679 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.27 -34.96 90.09 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.485 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 72.0 t -61.51 -45.42 98.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.724 0.297 . . . . 0.0 110.496 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.406 ' O ' ' CG1' ' A' ' 105' ' ' ILE . 64.5 mt -60.56 -50.29 80.98 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.586 0 CA-C-O 121.269 0.557 . . . . 0.0 110.541 -179.324 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 13.2 p -64.98 -25.29 67.8 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.14 0.495 . . . . 0.0 110.593 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -54.75 -52.92 61.03 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.068 -178.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.406 ' CG1' ' O ' ' A' ' 102' ' ' ILE . 6.2 pt -62.64 -39.28 84.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.903 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.91 -41.91 77.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.2 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 80.2 mt -59.42 -38.86 81.72 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.272 -178.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.8 mm -59.96 -42.8 90.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.681 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.6 mm -62.93 -42.92 98.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.662 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 95.0 mt -62.44 -43.75 98.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.434 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.438 HD13 ' HA ' ' A' ' 111' ' ' ILE . 32.6 mm -64.36 -44.16 97.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.797 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 69.7 t -66.41 -42.95 91.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.224 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -60.11 -41.09 91.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.846 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -59.03 -42.58 90.55 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.541 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 83.8 p -79.64 -8.32 59.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.823 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 16.3 m . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.669 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.551 ' SD ' ' N ' ' A' ' 4' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 t -61.32 -44.03 97.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.564 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.433 ' CA ' ' SD ' ' A' ' 1' ' ' MET . . . -168.71 112.14 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.551 ' N ' ' SD ' ' A' ' 1' ' ' MET . 89.4 m -126.01 129.57 49.46 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.454 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.61 145.86 37.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.455 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.404 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -63.83 -37.84 88.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.592 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 6' ' ' ALA . 45.6 p 51.74 64.79 1.71 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.51 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.431 HG22 ' H ' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -57.06 152.0 31.63 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.616 -179.149 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.49 165.99 21.0 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 122.474 2.116 . . . . 0.0 112.369 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -49.95 140.34 31.6 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.385 2.056 . . . . 0.0 112.061 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.24 90.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.509 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 50.71 73.21 1.02 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.486 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 14' ' ' ALA . 52.2 Cg_exo -52.64 -38.69 76.63 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.74 2.294 . . . . 0.0 112.103 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . 59.59 118.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.514 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.63 -108.75 0.24 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 54.41 40.55 31.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.809 0.337 . . . . 0.0 110.542 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.97 145.77 47.09 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.481 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 178.85 51.89 0.08 OUTLIER Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 18' ' ' GLY . 23.5 Cg_endo -62.4 166.28 13.5 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.485 2.124 . . . . 0.0 112.093 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -48.86 -38.52 38.4 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 122.347 2.031 . . . . 0.0 111.93 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 56.04 68.43 2.32 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.461 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -77.63 161.38 30.97 Favored 'Trans proline' 0 C--N 1.31 -1.472 0 C-N-CA 122.465 2.11 . . . . 0.0 112.239 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -39.29 155.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 122.581 2.187 . . . . 0.0 112.21 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.75 144.39 71.36 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.635 2.223 . . . . 0.0 111.96 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -63.23 -40.54 97.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.466 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.6 mt -111.9 145.22 39.91 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.44 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.578 HG23 ' N ' ' A' ' 28' ' ' SER . 15.2 t -62.5 -45.65 92.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.442 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.578 ' N ' HG23 ' A' ' 27' ' ' THR . 58.2 m -142.25 149.03 39.06 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.56 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -159.03 -88.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.607 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -170.09 -65.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.526 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -60.69 -42.85 97.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.509 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.3 -41.49 98.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.711 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -59.47 -41.91 90.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.52 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -63.83 -26.53 68.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.639 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.466 HG22 ' H ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -69.51 175.17 4.26 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 120.953 0.406 . . . . 0.0 110.389 -179.617 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.466 ' H ' HG22 ' A' ' 35' ' ' THR . 86.4 mt-30 -91.25 -10.75 40.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.62 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.1 -25.5 67.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.645 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -69.51 -55.16 10.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 36.0 m -68.06 -24.97 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.564 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -61.66 -42.47 98.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.595 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -67.99 -31.6 71.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.434 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.4 t -64.53 -25.47 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.57 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.3 t -62.5 -44.92 99.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.356 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -62.36 -43.15 99.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.464 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.15 -43.81 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.53 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.452 ' SD ' ' C ' ' A' ' 46' ' ' MET . 18.8 tmm? -61.85 -40.84 96.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.458 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -60.38 -42.94 96.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.562 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.432 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 88.3 t -63.29 -43.77 98.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.738 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -57.03 -37.56 71.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.351 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.05 -44.66 99.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.032 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 48' ' ' VAL . 1.9 p30 -87.27 -8.69 56.49 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 48' ' ' VAL . 63.4 tttp -65.45 -46.68 78.94 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.623 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.495 HG13 ' N ' ' A' ' 54' ' ' LEU . 9.9 p -64.39 -41.74 93.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.5 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.495 ' N ' HG13 ' A' ' 53' ' ' VAL . 60.3 tp -62.5 -42.6 99.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.602 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -71.97 141.84 49.4 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.351 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -129.95 150.66 51.13 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.574 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -84.0 101.05 11.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.407 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -73.78 129.99 39.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.571 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.422 ' N ' ' CD ' ' A' ' 59' ' ' LYS . 4.0 mptp? -63.33 -41.91 98.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.598 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 62' ' ' GLU . 54.7 mt -62.99 -41.14 99.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.495 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.2 t 54.2 6.2 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.723 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.484 ' H ' ' C ' ' A' ' 60' ' ' LEU . 97.6 mt-10 -63.24 -16.66 60.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.655 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 tp 61.92 6.33 1.66 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.597 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -77.47 122.93 25.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.511 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.4 -42.43 99.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.609 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 -140.1 148.62 41.98 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.461 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.48 -10.89 2.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.515 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 69' ' ' ALA . 37.3 p-10 -63.95 -37.15 86.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.675 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.506 ' N ' ' OD1' ' A' ' 68' ' ' ASP . . . 60.83 55.94 3.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.748 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' A' ' 69' ' ' ALA . 86.6 mt -47.28 -96.64 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.728 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -173.44 -77.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.632 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.35 152.87 22.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.528 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 156.94 -163.47 32.29 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 75' ' ' SER . . . -63.23 -38.43 91.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.683 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 74' ' ' ALA . 16.8 t 57.53 154.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.665 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -75.86 -14.76 60.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.526 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -60.8 -45.83 92.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.626 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -65.09 -41.39 95.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.601 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.2 p -66.29 -34.23 77.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.66 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.7 t -61.27 -43.76 98.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.648 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.19 -28.03 68.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.697 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.67 -38.18 86.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.587 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -63.4 -43.4 97.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.491 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.524 ' N ' HD12 ' A' ' 84' ' ' LEU . 10.5 mp -63.3 -42.8 99.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.45 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -64.95 -35.99 82.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.642 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -58.54 -34.09 70.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.685 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -60.65 -43.85 97.09 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.63 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -65.55 -40.49 92.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.736 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -87.81 179.36 6.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.553 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.607 ' CD1' ' N ' ' A' ' 90' ' ' TRP . 0.0 OUTLIER -153.25 78.97 1.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.397 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -79.88 -10.72 59.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.56 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 93' ' ' LEU . 32.0 p-10 -63.27 -39.42 94.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.56 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.414 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 88.8 mt -62.46 -41.03 98.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.638 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -61.24 -38.72 87.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.533 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 87.9 mmm -63.49 -35.79 81.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.444 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 15.9 tpp -75.37 -40.49 58.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.729 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.65 -46.3 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.87 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 99' ' ' LEU . 21.0 tt -70.05 -37.95 73.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.518 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.436 ' N ' HG23 ' A' ' 98' ' ' ILE . 48.6 tp -61.55 -41.81 97.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.512 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.91 -36.78 93.32 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.56 -46.72 95.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.721 0.296 . . . . 0.0 110.532 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 59.1 mt -62.1 -48.23 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.182 0.515 . . . . 0.0 110.668 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 80.6 m -61.81 -36.31 80.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.609 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.68 -37.59 79.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.511 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.98 -43.32 97.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.465 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.53 -42.64 96.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.417 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.7 -41.65 97.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.547 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.36 -43.3 98.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.383 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.87 -43.6 99.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.7 -43.64 98.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.407 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.9 mm -63.66 -44.22 98.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.682 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.504 ' O ' ' N ' ' A' ' 116' ' ' THR . 69.8 t -67.29 -43.78 87.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.192 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -61.09 -44.86 96.72 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.811 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -60.46 -44.93 95.35 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.765 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 80.3 p -85.29 -13.56 49.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.8 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 112' ' ' VAL . 9.6 m . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.824 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.0 ttp . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.2 m -60.5 -41.35 94.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.607 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.89 94.24 3.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.614 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 58.9 p -66.29 -34.71 78.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.558 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -170.22 13.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.548 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 50.85 81.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.61 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.5 m -62.62 -46.1 89.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.515 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.7 t 45.09 67.76 3.89 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.322 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -78.36 115.56 3.72 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.606 2.204 . . . . 0.0 111.823 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -50.32 -38.39 52.14 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 122.341 2.027 . . . . 0.0 112.286 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -156.86 152.89 27.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.583 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 58.83 74.82 0.56 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.411 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -51.86 -38.3 67.73 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.795 2.33 . . . . 0.0 112.183 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.06 139.27 48.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.517 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.61 -40.6 97.68 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -72.68 129.31 37.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.747 0.308 . . . . 0.0 110.401 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 150.3 146.79 4.4 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.515 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 150.45 -49.81 0.55 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 18' ' ' GLY . 24.7 Cg_exo -60.19 -174.17 0.09 OUTLIER 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.679 2.253 . . . . 0.0 112.073 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' A' ' 19' ' ' PRO . 31.6 Cg_exo -60.88 146.14 97.99 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 122.742 2.294 . . . . 0.0 111.973 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.593 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -45.57 164.8 0.19 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.479 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 74.7 Cg_exo -42.36 155.49 0.1 Allowed 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.579 2.186 . . . . 0.0 112.157 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.62 163.91 31.01 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 122.568 2.179 . . . . 0.0 112.139 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -44.18 -55.85 2.89 Favored 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 122.548 2.166 . . . . 0.0 112.192 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.516 ' O ' ' ND2' ' A' ' 29' ' ' ASN . 64.7 t30 -173.32 -67.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.68 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.576 HD22 ' N ' ' A' ' 26' ' ' LEU . 3.6 mm? 58.16 141.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.238 0.542 . . . . 0.0 110.724 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.2 p -67.46 -38.42 84.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.507 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 55.5 m -87.18 93.98 9.53 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.436 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.516 ' ND2' ' O ' ' A' ' 25' ' ' ASN . 14.0 m120 -99.93 3.39 44.41 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.464 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -86.3 99.48 11.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.628 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 81.7 mmt-85 -92.87 -2.71 55.64 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.6 mt -63.06 -44.14 96.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.549 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -72.97 -37.04 67.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.675 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -79.23 -2.09 39.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.786 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.9 m -58.87 -44.04 91.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.485 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -65.88 -39.46 90.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.837 0.351 . . . . 0.0 110.608 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.89 -12.64 60.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.792 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -56.3 -25.08 47.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.454 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.512 HG13 ' N ' ' A' ' 40' ' ' ASP . 13.6 p -61.92 -41.9 92.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.423 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.512 ' N ' HG13 ' A' ' 39' ' ' VAL . 97.7 m-20 -63.85 -35.91 82.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.581 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -61.56 -40.31 94.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.391 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.8 t -63.25 -43.28 98.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.375 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.8 t -60.39 -44.2 95.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.249 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -59.78 -43.13 94.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.503 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.83 -43.36 97.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.978 0.418 . . . . 0.0 110.474 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 99.4 mtp -67.59 -36.23 80.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.652 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -59.88 -47.92 83.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.998 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.02 -26.54 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.76 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -62.06 -39.7 93.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.484 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.1 t -63.52 -42.71 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.615 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -75.64 -20.68 58.32 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.733 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -67.2 -48.03 69.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.94 0.4 . . . . 0.0 110.55 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.17 -28.77 40.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.748 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.56 -43.05 99.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.724 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -119.45 119.33 33.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.185 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -133.2 134.93 44.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.546 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -84.62 117.16 23.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.486 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.55 -40.97 93.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.553 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.9 tttp 56.5 85.16 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.558 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.617 ' H ' HD23 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -73.31 108.71 6.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.008 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.6 m 172.87 -39.67 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.264 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -141.2 -84.49 0.2 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.74 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 74.1 mt -74.62 50.68 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.538 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.516 ' C ' ' H ' ' A' ' 66' ' ' ARG . 40.1 t0 -62.83 -37.75 88.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.533 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 72.15 -21.06 0.23 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.573 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.516 ' H ' ' C ' ' A' ' 64' ' ' ASP . 79.8 mtp85 -64.46 -41.64 96.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.61 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.54 144.33 49.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.651 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.404 ' OD2' ' NE2' ' A' ' 71' ' ' GLN . 39.3 t0 59.89 47.5 9.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.026 0.441 . . . . 0.0 110.554 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.27 -10.56 24.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.407 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.8 tp -61.84 -43.11 99.5 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.443 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.404 ' NE2' ' OD2' ' A' ' 68' ' ' ASP . 88.5 mt-30 -60.98 -39.99 91.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.402 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.03 -40.7 98.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.589 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 68.76 25.58 75.06 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 75' ' ' SER . . . 56.36 94.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.697 0.284 . . . . 0.0 110.571 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 74' ' ' ALA . 95.8 p 51.0 172.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.392 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -103.25 -74.4 0.64 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.727 0.299 . . . . 0.0 110.432 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -154.43 -6.44 0.15 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.694 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -60.34 -16.4 34.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.538 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.9 p -58.37 -44.07 88.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.495 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.4 t -61.67 -44.03 97.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.6 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.65 -34.17 77.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.749 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.86 -36.32 72.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.562 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -61.42 -42.78 99.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.41 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.549 ' N ' HD12 ' A' ' 84' ' ' LEU . 10.5 mp -62.81 -41.83 99.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.921 0.391 . . . . 0.0 110.264 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.18 -41.9 98.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.673 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -57.09 -25.95 59.62 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.0 0.429 . . . . 0.0 110.925 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -53.1 -48.33 67.87 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.497 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -113.45 -33.38 5.92 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.766 0.317 . . . . 0.0 110.696 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 17.8 t90 -83.37 94.28 7.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.482 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.519 ' CD1' ' O ' ' A' ' 90' ' ' TRP . 75.9 t-105 -89.13 43.35 1.14 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.569 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? 51.32 26.89 3.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.519 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 94' ' ' LYS . 51.8 t-20 -102.0 115.85 31.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.407 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 56.3 mt -63.4 -37.29 86.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.461 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.407 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 88.5 tttt -58.77 -41.27 86.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.412 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 64.8 mtt -63.73 -37.97 89.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.476 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 27.1 ttt -60.57 -41.64 95.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.49 -44.09 98.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.362 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.84 -42.89 97.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.418 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.21 -42.03 94.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.485 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -60.65 -37.26 93.18 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 73.5 t -62.14 -46.83 95.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.829 0.347 . . . . 0.0 110.582 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 56.2 mt -63.26 -48.18 88.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.235 0.54 . . . . 0.0 110.56 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 90.3 m -61.39 -36.16 79.51 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.578 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.55 -36.06 77.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.563 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.85 -43.2 97.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.622 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.84 -41.86 92.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.45 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.6 -37.98 76.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.529 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 94.9 mt -60.67 -41.91 89.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.867 0.365 . . . . 0.0 110.512 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 33.6 mm -56.42 -40.76 69.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.012 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 34.7 mm -61.83 -44.11 98.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.412 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 45.6 mm -62.9 -48.26 88.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 116' ' ' THR . 89.7 t -66.3 -43.73 91.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.266 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -60.37 -42.97 96.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.843 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -59.22 -44.37 92.3 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.735 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.3 m -85.36 -14.77 45.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.778 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 112' ' ' VAL . 11.6 m . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.999 -1.001 . . . . 0.0 111.026 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpp . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.3 p -66.11 -18.35 65.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.47 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.06 -37.86 88.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.548 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.1 m 42.35 90.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.636 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 6' ' ' ALA . . . -65.85 142.21 58.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.573 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 5' ' ' ALA . . . -59.92 -140.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.4 t -145.93 158.48 43.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.298 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 t -143.29 72.65 17.95 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.385 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.81 156.38 9.33 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.596 2.197 . . . . 0.0 112.147 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.66 155.14 69.84 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.617 2.212 . . . . 0.0 112.066 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.83 142.59 58.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.222 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -164.82 74.67 1.5 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.5 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -59.13 145.86 96.34 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.928 2.419 . . . . 0.0 111.964 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.57 144.36 55.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.241 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -143.64 -87.46 0.09 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 48.25 89.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.719 0.295 . . . . 0.0 110.436 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.88 -173.62 42.61 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.488 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 102.41 51.47 1.05 Allowed Glycine 0 N--CA 1.466 0.635 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 18' ' ' GLY . 22.4 Cg_endo -61.87 164.05 17.47 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 C-N-CA 122.607 2.205 . . . . 0.0 111.927 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -41.19 107.51 0.08 OUTLIER 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.339 2.026 . . . . 0.0 111.918 179.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.66 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . . . -76.04 -63.34 0.63 Allowed Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.807 179.085 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.66 ' CD ' ' HB3' ' A' ' 21' ' ' ALA . 15.0 Cg_endo -55.18 111.46 0.76 Allowed 'Trans proline' 0 C--N 1.318 -1.076 0 C-N-CA 122.31 2.007 . . . . 0.0 111.749 -178.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.514 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 31.9 Cg_exo -50.21 -42.35 47.18 Favored 'Trans proline' 0 N--CA 1.496 1.64 0 C-N-CA 122.121 1.88 . . . . 0.0 112.12 179.002 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 23' ' ' PRO . 31.3 Cg_exo -58.67 148.84 80.37 Favored 'Trans proline' 0 N--CA 1.489 1.249 0 C-N-CA 122.367 2.045 . . . . 0.0 112.183 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 55.61 79.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.841 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.4 mt -77.4 157.48 30.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.423 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.432 ' C ' ' H ' ' A' ' 29' ' ' ASN . 70.1 p -83.19 0.29 46.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.436 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 p 69.96 -6.68 1.04 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.598 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.432 ' H ' ' C ' ' A' ' 27' ' ' THR . 46.5 t30 52.63 52.25 14.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.675 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 29' ' ' ASN . 37.1 ttm180 60.82 133.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.497 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.548 ' C ' ' H ' ' A' ' 33' ' ' GLN . 95.5 mtt-85 -64.69 -37.15 86.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.697 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.4 mt -70.32 26.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.893 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.548 ' H ' ' C ' ' A' ' 31' ' ' ARG . 59.0 tt0 -63.59 -41.22 98.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.484 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -66.37 -33.5 75.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.709 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 83.1 m -61.4 -44.36 97.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.661 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -65.38 -31.52 72.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.683 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.08 -25.02 67.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.795 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -66.41 -42.51 87.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.776 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.9 m -81.49 -12.73 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.631 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -63.33 -37.95 89.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.547 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.58 -36.53 84.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.517 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.7 t -65.59 -42.49 93.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.567 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 77.5 t -60.47 -44.85 97.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.284 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -60.86 -44.18 97.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.573 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.94 -43.46 97.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-O 121.059 0.457 . . . . 0.0 110.372 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 49.0 ttp -65.24 -38.38 90.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.684 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.403 ' NH1' ' OD2' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -58.16 -47.71 82.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.057 -179.164 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.7 p -73.39 -26.27 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.747 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -61.97 -35.66 79.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.272 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.423 ' O ' HG12 ' A' ' 53' ' ' VAL . 88.0 t -64.1 -42.4 95.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.403 ' OD2' ' NH1' ' A' ' 47' ' ' ARG . 90.1 m-20 -65.59 -12.72 55.61 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.904 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -66.0 -24.96 66.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.344 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 50' ' ' VAL . 12.2 p -55.19 -28.61 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.478 -179.417 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' ' 55' ' ' GLU . 89.0 mt -63.01 -41.65 99.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.707 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 54' ' ' LEU . 7.0 tm-20 41.85 95.21 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.572 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -80.73 123.49 28.24 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.626 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -95.42 4.17 53.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.654 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -61.74 138.85 58.36 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.665 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.0 -41.89 99.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.609 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.0 tp -158.18 94.78 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.764 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 78.1 p -64.41 -35.28 80.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.978 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -172.38 -79.58 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.33 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.2 tp -133.91 111.28 10.33 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.591 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.466 ' CG ' ' H ' ' A' ' 65' ' ' ASP . 30.1 t70 -161.83 179.45 8.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.546 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.483 ' CG ' ' H ' ' A' ' 66' ' ' ARG . 66.7 t0 57.26 -122.89 1.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.656 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.513 ' C ' ' H ' ' A' ' 68' ' ' ASP . 99.7 mtt180 -63.1 -41.61 99.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.708 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 63.8 -5.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.809 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.513 ' H ' ' C ' ' A' ' 66' ' ' ARG . 94.3 m-20 -90.87 -1.34 57.85 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.494 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.22 87.37 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.397 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.589 HD23 ' N ' ' A' ' 71' ' ' GLN . 4.4 tt -119.24 116.26 25.9 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.819 0.343 . . . . 0.0 110.261 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.589 ' N ' HD23 ' A' ' 70' ' ' LEU . 53.3 mt-30 -64.74 130.54 43.92 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.448 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -155.91 16.82 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.513 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 167.79 -169.43 41.27 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.85 -40.17 94.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.735 0.302 . . . . 0.0 110.683 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.0 m -152.67 151.51 30.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.294 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.567 ' C ' ' H ' ' A' ' 78' ' ' GLU . 2.6 pm0 -138.32 152.28 48.34 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.259 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 56.63 -0.06 0.06 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.703 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.567 ' H ' ' C ' ' A' ' 76' ' ' GLN . 43.9 tp10 -66.17 -42.56 88.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.475 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.8 p -66.33 -35.65 80.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.607 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.7 m -62.03 -38.14 87.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.692 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.21 89.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.647 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.71 -41.53 81.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.384 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -63.03 -42.71 99.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.462 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.97 -42.08 97.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.707 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -59.78 -34.26 72.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.607 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -58.29 -39.73 80.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.654 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.91 -42.9 98.97 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.787 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -64.08 -41.19 97.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.788 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 36.4 t-105 -77.57 -53.35 7.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.929 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.0 t-105 -65.44 -40.79 93.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.787 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 67.4 mttm 56.11 -123.4 1.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.44 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 61.6 t30 61.53 34.44 17.93 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.764 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.532 HD12 ' N ' ' A' ' 93' ' ' LEU . 10.7 mp -67.29 -33.21 74.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.444 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -59.01 -40.13 83.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.523 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 36.7 ttm -61.69 -41.05 97.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.48 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 66.2 mtt -63.68 -41.29 98.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.533 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.27 -43.86 97.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.468 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.62 -43.18 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.21 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 53.8 tp -61.59 -41.92 98.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.53 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -59.01 -41.71 96.57 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.434 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 72.8 t -63.45 -46.91 93.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.798 0.332 . . . . 0.0 110.591 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 72.8 mt -62.21 -45.36 98.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.299 0.571 . . . . 0.0 110.381 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 68.7 m -57.28 -31.6 65.78 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.27 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -59.6 -39.27 83.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.54 ' N ' HD12 ' A' ' 105' ' ' ILE . 1.8 mp -63.87 -45.42 97.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.521 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.54 -42.18 94.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.426 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 5.4 tt -56.3 -39.02 72.05 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.914 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 94.4 mt -61.06 -41.71 90.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.391 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 31.8 mm -53.93 -37.53 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.512 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.11 -45.2 99.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.433 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.524 ' N ' HD12 ' A' ' 111' ' ' ILE . 1.4 mp -66.26 -44.54 91.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.825 0.345 . . . . 0.0 110.334 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 91.0 t -66.05 -43.53 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.2 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.576 ' O ' HG22 ' A' ' 116' ' ' THR . 92.1 t80 -60.44 -43.32 96.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.715 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -63.07 -42.87 99.76 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.779 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.3 m -73.47 -15.09 61.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.012 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 113' ' ' TYR . 8.6 t . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.899 -1.048 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptm . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m 46.66 -109.26 0.22 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.451 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.74 136.52 52.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.545 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -42.37 80.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.468 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -169.81 -6.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.504 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.03 87.85 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.589 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.4 m -64.22 -45.36 88.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.3 m -131.38 151.22 78.39 Favored Pre-proline 0 CA--C 1.531 0.218 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.671 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -37.18 155.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.635 2.224 . . . . 0.0 112.327 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.78 151.84 78.24 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.592 2.195 . . . . 0.0 112.016 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.44 10.05 2.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.528 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -164.97 72.84 1.47 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.078 0.466 . . . . 0.0 110.494 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -58.99 143.73 99.64 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.764 2.309 . . . . 0.0 112.073 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.21 -24.12 67.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.631 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 17' ' ' GLY . . . 93.09 8.6 61.45 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 53.3 -86.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 110.569 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 15' ' ' GLY . . . -61.88 -73.87 0.46 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 17' ' ' GLY . . . 53.54 168.34 0.03 OUTLIER Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.24 114.35 3.2 Favored 'Trans proline' 0 C--N 1.311 -1.421 0 C-N-CA 122.94 2.427 . . . . 0.0 111.866 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -50.57 -39.07 55.88 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 122.571 2.181 . . . . 0.0 112.034 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.505 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . 178.7 159.13 0.65 Allowed Pre-proline 0 N--CA 1.453 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.618 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.505 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 31.7 Cg_endo -64.68 164.22 24.77 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.568 2.178 . . . . 0.0 112.259 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.471 ' O ' ' O ' ' A' ' 22' ' ' PRO . 52.3 Cg_exo -44.57 -178.95 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.643 2.229 . . . . 0.0 112.27 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -61.75 146.68 96.48 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.582 2.188 . . . . 0.0 112.142 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 25' ' ' ASN . 50.0 p-10 -82.56 86.07 6.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.617 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.0 -41.97 99.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.67 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.0 p 51.55 -124.63 2.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.599 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.3 p -74.52 157.14 36.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.45 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -102.44 132.95 48.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.401 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -136.68 144.24 43.83 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.61 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.476 ' C ' ' H ' ' A' ' 33' ' ' GLN . 87.2 mtt-85 -65.01 -37.68 88.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.592 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.1 mt -74.77 27.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.686 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.476 ' H ' ' C ' ' A' ' 31' ' ' ARG . 57.5 tt0 -55.09 -40.61 70.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.545 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -61.21 -41.45 96.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.664 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.6 m -63.0 -44.19 96.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.704 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -57.06 -11.05 1.33 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.643 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.66 -41.46 81.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.532 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -65.55 -38.6 90.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.527 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.03 -22.42 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.649 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -62.62 -32.23 73.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.501 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -78.48 -34.39 47.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.697 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.0 t -61.92 -46.86 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.403 ' H ' HG22 ' A' ' 43' ' ' VAL . 10.7 m -59.61 -41.71 85.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.459 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -62.13 -42.59 99.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.379 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.89 -43.23 97.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.655 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 48.1 ttp -64.16 -39.31 93.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.417 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -58.24 -43.89 88.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.601 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 80.4 t -61.73 -43.94 97.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.543 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -60.32 -40.7 91.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.163 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.91 -42.35 88.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.162 0.506 . . . . 0.0 110.665 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -68.41 -20.95 64.69 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.486 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -66.98 -48.86 67.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.657 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 56' ' ' ARG . 7.6 p -74.94 -29.32 22.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.747 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.596 HD13 ' O ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -62.38 -43.89 97.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.687 -179.034 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -67.78 -46.78 71.02 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.232 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 53' ' ' VAL . 93.8 mtt180 -79.09 141.99 36.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.569 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 57' ' ' ASP . 53.6 p-10 -71.11 146.95 48.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.569 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.433 HE21 ' HB2' ' A' ' 60' ' ' LEU . 57.2 tt0 -60.97 113.32 2.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.492 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.33 -42.23 99.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.664 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' HB2' HE21 ' A' ' 58' ' ' GLN . 63.6 mt -65.55 -173.34 0.15 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.464 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.2 t 55.23 81.57 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.441 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -174.01 -29.25 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.666 ' H ' HD23 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -63.93 -40.57 96.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.245 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -65.11 -33.31 75.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.407 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.524 ' CG ' ' H ' ' A' ' 66' ' ' ARG . 24.6 t0 62.57 -168.54 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.53 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.524 ' H ' ' CG ' ' A' ' 65' ' ' ASP . 57.1 ttp180 -66.08 -19.57 65.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.618 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.491 ' C ' ' H ' ' A' ' 69' ' ' ALA . . . -61.12 -33.06 72.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.41 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 55.72 5.1 0.13 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.571 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.491 ' H ' ' C ' ' A' ' 67' ' ' ALA . . . 52.01 89.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.83 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.55 HD22 ' N ' ' A' ' 70' ' ' LEU . 4.0 mm? -77.79 143.13 38.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.726 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.426 ' HG2' ' H ' ' A' ' 73' ' ' GLY . 58.8 tt0 55.5 -87.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.33 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 44.89 43.2 6.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.426 ' H ' ' HG2' ' A' ' 71' ' ' GLN . . . -71.77 -91.12 0.1 OUTLIER Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.2 88.4 7.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.483 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 81.1 p -164.72 50.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.744 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.404 ' O ' ' OG1' ' A' ' 79' ' ' THR . 99.4 mm-40 -83.0 -4.5 58.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.599 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -60.04 -46.07 90.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.643 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -69.61 -35.19 75.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.663 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 76' ' ' GLN . 73.1 p -65.68 -33.39 75.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.694 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 95.1 p -59.99 -34.34 73.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.569 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.31 -36.1 82.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.614 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.68 -35.76 77.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.582 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -59.14 -45.75 90.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.596 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.534 ' N ' HD12 ' A' ' 84' ' ' LEU . 10.6 mp -63.02 -41.83 99.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.551 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.39 -40.36 97.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.38 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -59.84 -45.1 93.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -64.67 -40.44 95.42 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.807 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -60.7 -45.05 95.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.35 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.523 ' CG ' ' O ' ' A' ' 89' ' ' TRP . 42.1 p-90 -147.28 119.13 8.1 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.451 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.418 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 67.2 t-105 -177.1 -94.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.484 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.47 ' C ' ' H ' ' A' ' 93' ' ' LEU . 25.4 ttpp -63.61 -33.26 75.23 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.518 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -74.8 18.45 0.17 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.522 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.47 ' H ' ' C ' ' A' ' 91' ' ' LYS . 48.7 tp -63.57 -43.01 98.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.675 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -59.58 -34.11 72.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.347 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 97.5 mmm -61.97 -32.42 72.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.45 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 60.7 mtt -65.92 -41.32 91.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.676 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.55 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.8 mp -60.52 -52.28 63.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.763 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.459 HG23 ' N ' ' A' ' 99' ' ' LEU . 13.9 tt -69.34 -40.67 80.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.388 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.459 ' N ' HG23 ' A' ' 98' ' ' ILE . 57.5 tp -62.68 -41.56 99.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.504 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -60.13 -40.38 97.1 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.58 -47.29 93.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.334 . . . . 0.0 110.661 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 60.9 mt -62.36 -49.12 85.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.144 0.497 . . . . 0.0 110.777 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.578 ' SG ' ' N ' ' A' ' 104' ' ' ALA . 6.1 p -60.37 -42.61 96.17 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.691 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.578 ' N ' ' SG ' ' A' ' 103' ' ' CYS . . . -53.12 -37.31 61.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.52 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.17 -42.79 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.425 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.05 -41.49 89.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.404 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.5 mp -59.37 -37.86 79.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.704 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 92.8 mt -61.62 -43.22 96.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.121 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.8 mm -63.54 -43.44 98.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.472 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.1 -43.45 98.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.254 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.44 -44.01 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.696 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.32 -43.43 87.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.336 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -60.45 -42.59 96.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.769 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -59.16 -44.57 92.13 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.579 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.7 t -62.77 -42.24 99.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.594 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--N 1.326 -0.43 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.847 -179.946 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 ptp . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m -60.48 -41.79 94.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.529 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.37 142.1 57.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.5 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.6 p -87.93 134.87 33.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.507 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.72 150.99 26.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.472 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -159.51 45.79 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.564 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.2 m -120.78 127.95 52.44 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.053 0.454 . . . . 0.0 110.564 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.451 HG22 ' H ' ' A' ' 8' ' ' VAL . 3.1 m -71.1 149.84 94.63 Favored Pre-proline 0 N--CA 1.45 -0.462 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.62 -179.34 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 8' ' ' VAL . 74.0 Cg_exo -38.16 165.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.804 2.336 . . . . 0.0 112.546 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 11' ' ' ALA . 52.2 Cg_exo -50.68 -39.34 56.79 Favored 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 122.482 2.121 . . . . 0.0 112.177 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 10' ' ' PRO . . . 59.52 145.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.962 0.41 . . . . 0.0 110.578 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -161.58 73.39 2.48 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.45 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -59.98 145.41 98.42 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.84 2.36 . . . . 0.0 111.867 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.7 142.8 46.26 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.483 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.35 136.51 3.7 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -84.55 142.24 30.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.602 0.239 . . . . 0.0 110.362 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -113.2 -169.43 17.3 Favored Glycine 0 N--CA 1.467 0.72 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.06 165.71 15.61 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.31 111.79 0.97 Allowed 'Trans proline' 0 C--N 1.313 -1.293 0 C-N-CA 122.887 2.391 . . . . 0.0 111.794 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -50.47 117.64 3.39 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 122.367 2.044 . . . . 0.0 112.205 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 44.39 79.42 0.34 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -80.23 161.97 22.94 Favored 'Trans proline' 0 C--N 1.313 -1.338 0 C-N-CA 122.67 2.247 . . . . 0.0 112.167 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -40.62 155.83 0.05 OUTLIER 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 122.633 2.222 . . . . 0.0 112.288 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.68 -19.68 53.52 Favored 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.741 2.294 . . . . 0.0 111.922 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -67.66 148.46 51.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.518 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.8 mt -86.44 -6.55 58.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.42 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.5 m -62.59 -45.71 91.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.486 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.2 p -75.56 162.04 28.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.545 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 54.9 48.26 20.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.623 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -61.8 -16.96 54.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.46 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -56.45 -21.93 28.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.36 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 74.3 mt -63.39 -39.24 93.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.684 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.443 ' N ' ' OE1' ' A' ' 38' ' ' GLN . 72.9 tp60 -57.53 -30.19 64.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.426 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -64.41 -37.09 86.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.683 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.06 171.18 14.67 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.014 0.435 . . . . 0.0 110.376 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -95.17 -11.04 28.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.777 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.97 -36.49 84.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.043 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.443 ' OE1' ' N ' ' A' ' 33' ' ' GLN . 55.5 tt0 -60.43 -53.07 61.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.502 ' O ' HG12 ' A' ' 42' ' ' VAL . 29.4 m -69.61 -26.01 29.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.718 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.415 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 66.8 t0 -63.38 -33.82 76.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.629 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -51.57 -19.9 1.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.617 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.502 HG12 ' O ' ' A' ' 39' ' ' VAL . 9.9 p -57.46 -27.59 29.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.477 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.581 HG13 ' N ' ' A' ' 44' ' ' ASP . 7.4 p -60.26 -45.12 96.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.098 0.475 . . . . 0.0 110.638 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.581 ' N ' HG13 ' A' ' 43' ' ' VAL . 48.8 t0 -61.97 -36.35 81.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.4 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.6 mm -62.37 -43.28 97.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.595 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 83.9 mmm -61.76 -39.25 90.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.798 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -61.01 -41.07 95.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.556 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.96 -42.68 96.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -59.35 -40.31 85.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.292 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.0 t -63.83 -39.78 86.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.719 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.85 -38.6 82.59 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.71 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.14 -35.27 80.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.945 0.403 . . . . 0.0 110.434 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 57' ' ' ASP . 91.0 t -63.36 -40.6 89.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.636 -179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 71.4 mt -72.22 -6.8 45.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -95.48 -91.37 0.22 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.676 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 89.2 mtm-85 -56.48 -100.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.844 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 53' ' ' VAL . 26.5 t0 -78.46 114.92 17.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.423 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -62.81 -45.88 90.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.665 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -172.41 -94.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.549 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.09 -41.59 99.44 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.529 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t 169.11 -78.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.536 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -164.74 -97.24 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.488 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.498 ' C ' ' H ' ' A' ' 65' ' ' ASP . 57.2 mt -62.73 -39.7 94.9 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.492 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 66' ' ' ARG . 45.7 t0 58.14 3.57 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.647 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.498 ' H ' ' C ' ' A' ' 63' ' ' LEU . 97.9 m-20 53.04 12.65 0.31 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.639 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.408 ' N ' ' C ' ' A' ' 64' ' ' ASP . 76.7 mmt-85 -132.8 -171.85 2.77 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.745 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 63.05 121.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.558 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.579 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 92.6 m-20 -62.39 -40.98 98.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.647 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 68' ' ' ASP . . . 75.78 -29.68 0.19 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.403 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.48 ' H ' ' C ' ' A' ' 68' ' ' ASP . 57.8 mt -62.85 -39.53 94.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.675 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 42.5 -95.51 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.457 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . -75.61 127.66 33.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.471 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.39 -37.69 94.8 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.84 148.5 13.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.726 0.298 . . . . 0.0 110.504 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.2 p -67.54 159.21 30.22 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.508 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.576 ' C ' ' H ' ' A' ' 78' ' ' GLU . 70.6 tp60 -144.86 147.31 32.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.15 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.7 t80 67.1 -19.34 0.12 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.712 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.576 ' H ' ' C ' ' A' ' 76' ' ' GLN . 80.7 mm-40 -65.26 -21.34 66.72 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.497 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 31.1 p -62.59 -41.63 99.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.593 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.4 t -60.98 -43.74 98.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.554 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.82 -37.5 87.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.759 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.78 -32.64 70.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.358 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -61.56 -45.07 95.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.556 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 84' ' ' LEU . 10.4 mp -63.02 -42.28 99.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.395 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -62.54 -43.67 98.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.725 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -64.7 -38.94 92.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.541 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.28 -43.28 99.18 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.901 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.441 ' O ' ' O ' ' A' ' 89' ' ' TRP . 88.8 t80 -81.75 129.32 34.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.339 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.441 ' O ' ' O ' ' A' ' 88' ' ' TYR . 63.3 t-105 47.69 100.83 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -82.66 137.01 34.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.418 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.29 142.88 27.91 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.409 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -93.12 -4.03 52.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.527 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.8 mt -62.91 -40.74 98.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.388 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -62.0 -40.34 95.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.569 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 4.0 mmt -63.33 -36.13 82.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.451 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 37.8 tpp -59.48 -39.18 82.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.3 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 35.4 mm -62.52 -43.58 98.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.409 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 35.4 mm -63.63 -43.68 98.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.444 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.34 -39.6 91.17 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.644 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -59.88 -33.19 77.4 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.415 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 91.4 t -61.91 -47.64 92.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.92 0.391 . . . . 0.0 110.622 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.549 HD12 ' N ' ' A' ' 102' ' ' ILE . 1.5 mp -62.67 -45.59 98.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.439 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.8 p -60.68 -30.88 70.2 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.579 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -55.27 -46.34 76.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.434 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.579 ' N ' HD12 ' A' ' 105' ' ' ILE . 1.7 mp -63.02 -43.84 99.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.4 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 27.3 mm -58.16 -30.86 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.26 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 86.8 mt -83.13 -44.37 15.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.807 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.14 -44.05 97.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.756 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.471 HG23 ' N ' ' A' ' 110' ' ' ILE . 20.6 tt -63.18 -39.68 86.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.59 -179.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.471 ' N ' HG23 ' A' ' 109' ' ' ILE . 3.9 mm -62.73 -44.35 99.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.463 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.9 mm -65.49 -43.83 94.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.479 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 92.2 t -70.79 -26.0 27.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.597 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.08 -44.92 94.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.794 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -62.81 -36.96 84.89 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.748 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.9 t -71.07 -20.51 62.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.714 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.628 -179.833 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.3 ttm . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m 53.26 86.21 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.528 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -156.52 151.8 26.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.513 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.0 p -82.09 167.41 18.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.445 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.35 151.64 29.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.963 0.411 . . . . 0.0 110.35 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.58 166.44 17.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.2 t -146.41 155.53 42.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.259 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.6 t -145.46 72.13 14.22 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.303 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -78.65 165.33 24.98 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.245 1.963 . . . . 0.0 112.357 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -51.0 139.37 41.91 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.366 2.044 . . . . 0.0 112.086 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.07 -142.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.458 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.37 73.48 3.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.413 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -58.95 144.59 99.04 Favored 'Trans proline' 0 C--N 1.307 -1.639 0 C-N-CA 122.916 2.411 . . . . 0.0 111.967 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.82 19.3 2.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.35 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.46 109.38 2.7 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -120.72 139.35 53.19 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.941 0.4 . . . . 0.0 110.461 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.53 -170.48 42.24 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -156.18 73.36 0.24 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -53.49 156.11 11.8 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.661 2.241 . . . . 0.0 112.04 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.44 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 41.7 Cg_endo -66.94 146.41 77.55 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.67 2.247 . . . . 0.0 111.9 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 20' ' ' PRO . . . 175.67 71.36 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.271 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.0 157.11 17.68 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.635 2.223 . . . . 0.0 112.114 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.82 162.08 41.13 Favored 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.458 2.105 . . . . 0.0 112.013 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -63.46 -24.52 70.77 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.877 2.384 . . . . 0.0 111.901 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.4 t30 58.11 52.22 7.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.728 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.09 -40.66 98.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.555 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.9 m 57.9 157.11 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.645 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.8 t -74.92 -4.14 36.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.58 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 59.94 82.27 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.542 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -67.04 143.81 56.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.972 0.415 . . . . 0.0 110.216 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 92.5 mtm-85 -93.55 2.86 56.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.552 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.424 ' O ' ' OG1' ' A' ' 35' ' ' THR . 55.1 mt -63.0 -40.92 99.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.582 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -62.17 -41.17 98.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.537 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.441 ' O ' ' O ' ' A' ' 35' ' ' THR . 87.1 mt-30 -64.36 -40.4 95.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.977 HG22 ' H ' ' A' ' 36' ' ' GLN . 12.5 m 43.51 -172.53 0.01 OUTLIER 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.49 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.977 ' H ' HG22 ' A' ' 35' ' ' THR . 98.7 mm-40 -82.26 -11.28 58.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.59 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.1 -26.19 36.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.456 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -61.56 -41.87 98.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.437 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.9 t -63.71 -45.19 98.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.49 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -64.93 -35.37 80.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -57.7 -33.95 68.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.415 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.3 t -63.9 -43.24 97.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.523 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 92.1 t -60.03 -43.5 92.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.329 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.37 -41.82 97.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.502 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.9 -44.05 97.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.548 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 95.9 mmm -65.7 -38.13 88.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.685 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -60.49 -43.09 97.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.401 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.15 -43.74 98.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.454 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 27.5 t-20 -59.18 -40.56 86.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.182 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.426 ' O ' HG12 ' A' ' 53' ' ' VAL . 78.8 t -66.08 -41.94 90.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.8 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.54 -9.15 1.49 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.818 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 49' ' ' ASN . 30.4 mmtp -62.87 -30.91 71.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.366 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.426 HG12 ' O ' ' A' ' 50' ' ' VAL . 13.0 p -60.09 -32.28 49.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.998 0.427 . . . . 0.0 110.548 -179.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.3 tp -62.83 -39.54 94.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.954 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -40.07 -85.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.629 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.426 ' O ' ' OD1' ' A' ' 57' ' ' ASP . 30.5 mmt180 -72.64 -92.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.594 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 56' ' ' ARG . 72.1 m-20 -154.28 176.44 12.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.357 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -54.41 158.24 2.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.644 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -62.55 -41.23 98.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.657 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.557 HD12 ' N ' ' A' ' 61' ' ' SER . 0.3 OUTLIER -159.7 -0.45 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.331 -179.711 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.557 ' N ' HD12 ' A' ' 60' ' ' LEU . 2.6 m -89.63 47.46 1.47 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.903 0.382 . . . . 0.0 110.609 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.43 -37.52 87.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.695 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.1 mt -87.43 25.56 1.4 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.565 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 37.4 p-10 -61.99 -38.91 90.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.594 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.521 ' N ' ' OD1' ' A' ' 64' ' ' ASP . 56.5 t0 -66.89 -11.52 56.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.486 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 60.28 69.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.529 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.26 143.04 57.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.597 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.547 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 99.3 m-20 -61.81 -42.72 99.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.553 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 68' ' ' ASP . . . 72.84 -4.78 2.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.62 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 75.0 mt -86.04 82.45 8.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.377 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -173.64 -52.68 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.671 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.12 -38.72 92.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.653 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 55.71 82.88 0.05 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 61.83 134.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.852 0.358 . . . . 0.0 110.551 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.525 ' C ' ' H ' ' A' ' 77' ' ' PHE . 18.6 m -158.74 159.9 35.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.638 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.51 ' C ' ' H ' ' A' ' 78' ' ' GLU . 44.6 tt0 57.7 1.14 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.265 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.525 ' H ' ' C ' ' A' ' 75' ' ' SER . 97.0 m-85 56.23 3.8 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.649 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.51 ' H ' ' C ' ' A' ' 76' ' ' GLN . 17.2 pt-20 -51.64 -18.89 1.31 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.512 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.417 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 31.3 p -65.3 -39.33 92.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.0 m -60.91 -42.51 98.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.649 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.97 -25.89 68.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.667 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 79' ' ' THR . . . -60.54 -35.44 76.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.389 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -61.0 -47.09 88.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.425 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 56.0 mt -64.04 -40.19 95.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.469 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -63.96 -36.8 85.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.779 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -58.79 -33.83 70.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.859 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 63.9 mttp -59.56 -42.7 93.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.37 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -74.81 -44.38 49.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.77 0.319 . . . . 0.0 110.718 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -66.21 -50.76 62.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.074 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -60.42 -44.24 95.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.289 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 87' ' ' LYS . 70.2 mmtt -77.05 151.84 35.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.498 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -90.51 10.8 23.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.371 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.76 -41.14 99.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.287 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -47.69 -26.55 1.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.782 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 96.9 mmm -63.34 -41.9 98.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -64.3 -41.39 96.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.53 -44.11 98.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.439 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.9 mm -63.57 -42.95 97.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.324 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.28 -41.36 96.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.427 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.3 -36.15 92.02 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 73.9 t -62.2 -46.48 96.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.764 0.316 . . . . 0.0 110.566 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 59.7 mt -62.7 -48.65 87.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.129 0.49 . . . . 0.0 110.7 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 98.8 m -62.54 -35.83 80.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.678 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.52 -36.64 78.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.528 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.55 -42.56 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.615 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.1 mm -59.23 -38.96 77.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.057 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.3 tp -58.17 -42.44 86.02 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.46 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.9 mm -63.64 -43.85 98.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.803 0.335 . . . . 0.0 110.402 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.41 -43.66 98.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.324 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.09 -43.41 98.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.397 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.9 mm -63.82 -44.14 98.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.484 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 70.1 t -67.41 -43.15 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.325 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -59.62 -44.75 93.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.749 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -60.67 -45.48 93.96 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.694 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 116' ' ' THR . 86.6 p -79.67 -8.81 59.45 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.846 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 115' ' ' SER . 4.3 t . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.899 -1.048 . . . . 0.0 111.586 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.1 ttp . . . . . 0 N--CA 1.492 1.65 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 t -66.84 139.8 57.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.521 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.75 142.85 57.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.393 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.3 128.55 53.52 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.358 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.82 -107.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.456 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -156.94 152.15 26.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.176 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 97.9 m -124.37 128.0 48.42 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.371 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.6 t -80.9 119.17 75.32 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.716 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -75.47 166.18 29.13 Favored 'Trans proline' 0 N--CA 1.488 1.189 0 C-N-CA 122.042 1.828 . . . . 0.0 112.509 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.12 140.42 50.66 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 122.293 1.995 . . . . 0.0 112.112 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.19 90.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.443 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 46.94 57.53 17.39 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.593 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.77 154.96 63.47 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.702 2.268 . . . . 0.0 112.089 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 61.18 116.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.639 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -171.44 171.98 44.29 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -154.51 119.73 5.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.798 0.332 . . . . 0.0 110.367 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.99 174.12 50.95 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 43.69 73.67 0.24 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -53.63 156.83 10.83 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.638 2.225 . . . . 0.0 112.098 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.425 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 49.2 Cg_endo -69.48 158.08 58.61 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.666 2.244 . . . . 0.0 111.928 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 20' ' ' PRO . . . 66.87 73.24 0.39 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.457 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -44.72 106.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.306 2.004 . . . . 0.0 111.544 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.505 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 32.2 Cg_exo -52.15 -44.21 47.58 Favored 'Trans proline' 0 N--CA 1.491 1.363 0 C-N-CA 122.349 2.032 . . . . 0.0 112.163 178.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 23' ' ' PRO . 61.1 Cg_endo -79.59 -10.64 14.46 Favored 'Trans proline' 0 N--CA 1.489 1.207 0 C-N-CA 122.347 2.031 . . . . 0.0 112.233 -179.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 24' ' ' PRO . 60.5 t-20 48.85 97.78 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.523 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.2 -41.03 99.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.434 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.0 m -78.49 122.71 26.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.244 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.9 m -99.01 -176.94 3.47 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.343 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.482 ' C ' ' H ' ' A' ' 31' ' ' ARG . 99.4 m-20 -86.5 30.9 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.522 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -70.23 40.92 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.655 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.513 ' C ' ' H ' ' A' ' 33' ' ' GLN . 89.4 mtm180 -85.52 6.52 26.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.707 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.1 mt -73.36 29.51 0.07 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.639 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.513 ' H ' ' C ' ' A' ' 31' ' ' ARG . 83.9 mt-30 -61.13 -30.93 70.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.233 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.594 ' O ' ' N ' ' A' ' 36' ' ' GLN . 84.0 mt-30 -60.92 -40.35 92.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.952 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.415 ' C ' ' N ' ' A' ' 37' ' ' ALA . 20.0 m 56.33 -70.37 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.185 0 O-C-N 123.617 0.573 . . . . 0.0 110.777 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.594 ' N ' ' O ' ' A' ' 34' ' ' GLN . 88.9 mt-30 -50.45 -15.87 0.3 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.984 0.421 . . . . 0.0 110.326 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 35' ' ' THR . . . -68.14 -29.43 68.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.514 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -65.33 -53.4 44.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.002 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.1 p -67.06 -25.87 35.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.56 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -63.16 -35.97 82.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.668 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -57.01 -24.25 52.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.647 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.0 t -61.05 -22.18 26.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.512 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.68 -43.65 97.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.555 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -57.84 -42.43 84.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.3 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.67 HD12 ' N ' ' A' ' 45' ' ' ILE . 1.9 mp -63.32 -43.39 98.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.535 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 83.7 mtp -61.42 -39.58 91.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.422 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.65 -39.55 94.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.599 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.9 t -64.05 -40.47 89.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.505 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.453 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 47.7 t-20 -56.55 -39.96 74.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.426 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 84.7 t -64.61 -39.16 84.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.15 0.5 . . . . 0.0 110.591 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -61.7 -9.29 5.98 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.886 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 49' ' ' ASN . 30.0 mmtp -63.98 -17.63 63.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.011 0.434 . . . . 0.0 110.436 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.539 HG23 ' N ' ' A' ' 54' ' ' LEU . 33.5 m -64.12 -44.2 97.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.553 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.539 ' N ' HG23 ' A' ' 53' ' ' VAL . 63.2 tp -62.89 -43.44 98.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.541 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -163.1 138.03 6.49 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.728 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -65.86 -40.98 92.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.708 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 49.78 54.45 11.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.621 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -55.96 115.39 2.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.618 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.566 ' C ' ' H ' ' A' ' 61' ' ' SER . 44.4 mmtm -63.89 -43.99 94.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.539 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 tp 69.0 -18.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.789 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.566 ' H ' ' C ' ' A' ' 59' ' ' LYS . 58.7 m -61.48 -38.35 86.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.718 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -57.15 -46.57 82.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.788 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.7 mt -63.42 -41.62 98.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.511 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -73.1 143.33 47.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.32 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 66' ' ' ARG . 50.1 p30 -140.67 -123.08 0.11 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.43 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.52 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 84.8 mtt85 -62.78 -36.81 84.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.458 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.23 141.78 45.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.417 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.0 p-10 -154.45 45.54 0.55 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.625 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.03 53.77 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.608 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.562 HD22 ' N ' ' A' ' 70' ' ' LEU . 3.7 mm? -81.82 131.75 35.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.056 0.455 . . . . 0.0 110.586 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -62.72 -40.66 97.88 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.471 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -165.32 -7.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.29 7.1 88.7 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 43.5 42.43 3.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.75 0.309 . . . . 0.0 110.515 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 42.3 t -63.89 132.54 51.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.478 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -102.75 -18.62 15.07 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.542 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -67.69 -37.67 82.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.928 0.394 . . . . 0.0 110.671 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -55.64 -20.84 15.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.737 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.6 p -62.08 -44.77 95.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.625 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.5 m -61.96 -43.45 98.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.703 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.42 -36.62 84.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.739 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.55 -36.71 69.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.403 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -62.03 -48.27 81.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.866 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.55 ' N ' HD12 ' A' ' 84' ' ' LEU . 10.5 mp -66.39 -39.5 89.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.278 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -60.92 -29.52 69.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.583 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -58.31 -44.52 88.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.756 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.461 ' C ' ' H ' ' A' ' 89' ' ' TRP . 43.6 mmtm -101.43 -49.85 3.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.665 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.52 ' O ' ' CD2' ' A' ' 88' ' ' TYR . 63.8 t80 50.92 10.54 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.544 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.461 ' H ' ' C ' ' A' ' 87' ' ' LYS . 6.8 t90 -152.3 -68.52 0.16 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.637 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.48 ' O ' ' O ' ' A' ' 91' ' ' LYS . 94.5 m95 -60.47 -49.15 78.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.675 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.48 ' O ' ' O ' ' A' ' 90' ' ' TRP . 10.0 mtpm? 49.1 106.76 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 121.051 0.453 . . . . 0.0 110.806 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 92' ' ' ASN . 10.3 p-10 -63.2 -22.5 66.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.704 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 93' ' ' LEU . 11.0 mp -67.25 -31.08 71.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.471 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -57.25 -41.88 80.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.512 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 70.0 mtm -64.74 -40.0 94.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.566 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 91.2 mtp -63.82 -41.41 97.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.506 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.77 -43.63 98.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.401 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.19 -42.27 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.215 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 48.5 tp -59.31 -40.45 86.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.462 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -60.92 -33.47 83.7 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.92 -43.92 96.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.826 0.346 . . . . 0.0 110.736 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 15.2 mm -63.64 -44.86 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.476 0.655 . . . . 0.0 110.662 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.576 ' SG ' ' N ' ' A' ' 104' ' ' ALA . 8.5 p -63.35 -44.06 95.93 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.554 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.576 ' N ' ' SG ' ' A' ' 103' ' ' CYS . . . -53.05 -36.27 60.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.705 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.11 -42.02 94.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.216 0.531 . . . . 0.0 110.271 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.46 -41.93 94.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.14 -47.9 83.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.729 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 22.1 pt -65.17 -38.63 83.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.338 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 74.5 mt -63.13 -43.59 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.481 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.22 -42.9 98.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.332 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.39 -44.24 99.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.495 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.53 -43.05 87.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.204 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -60.28 -41.45 93.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.791 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -59.9 -44.48 94.23 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.72 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.3 m -69.02 -34.31 75.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.566 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.6 m . . . . . 0 C--N 1.323 -0.576 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.687 -179.829 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.4 ptt? . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 3' ' ' ALA . 61.2 m -60.04 -42.34 94.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 2' ' ' SER . . . -59.52 -144.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.45 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 62.1 p -135.87 156.8 48.23 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.574 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.87 142.33 53.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.478 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -157.17 132.44 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.371 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 95.4 m -127.01 129.47 48.14 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.185 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.441 HG22 ' H ' ' A' ' 8' ' ' VAL . 2.2 m -60.53 150.85 72.75 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.476 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.11 167.38 18.26 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.178 1.918 . . . . 0.0 112.402 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -51.95 140.97 47.82 Favored 'Trans proline' 0 N--CA 1.498 1.755 0 C-N-CA 122.17 1.913 . . . . 0.0 112.038 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.84 88.9 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.393 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.639 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . 60.56 178.49 0.04 OUTLIER Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.619 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.639 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 39.4 Cg_exo -60.3 144.07 99.5 Favored 'Trans proline' 0 N--CA 1.5 1.872 0 C-N-CA 122.454 2.103 . . . . 0.0 111.959 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.72 141.17 48.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.066 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.27 98.58 2.28 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -154.69 139.25 16.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.784 0.326 . . . . 0.0 110.32 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 161.13 -174.57 37.74 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.58 73.28 0.1 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.464 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 24.1 Cg_exo -60.61 -173.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.742 2.295 . . . . 0.0 111.972 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 19' ' ' PRO . 28.0 Cg_exo -61.49 146.65 96.85 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 C-N-CA 122.711 2.274 . . . . 0.0 111.761 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.43 ' N ' ' CD ' ' A' ' 22' ' ' PRO . . . -159.83 54.9 0.67 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.182 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 38.4 Cg_endo -67.46 161.3 43.93 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 122.642 2.228 . . . . 0.0 112.101 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.9 119.65 6.69 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.407 2.072 . . . . 0.0 111.73 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -49.33 -39.36 43.66 Favored 'Trans proline' 0 N--CA 1.5 1.883 0 C-N-CA 122.058 1.838 . . . . 0.0 112.313 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 25' ' ' ASN . 15.3 p30 -87.15 123.82 32.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.495 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.6 tp -106.4 125.41 50.96 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.022 0.439 . . . . 0.0 110.271 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.3 p -84.43 168.03 15.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.459 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 29' ' ' ASN . 73.6 m -59.59 -39.35 83.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.684 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' A' ' 28' ' ' SER . 78.5 m-20 57.81 117.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.612 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 53.96 68.13 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.443 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.447 ' C ' ' H ' ' A' ' 33' ' ' GLN . 84.5 mtt85 -64.29 -37.3 87.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.828 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.599 ' H ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -75.33 20.62 0.15 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.301 -179.376 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.447 ' H ' ' C ' ' A' ' 31' ' ' ARG . 25.6 pt20 -56.4 -9.46 0.7 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.872 0.368 . . . . 0.0 110.516 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -61.58 -28.06 69.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.627 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 89.7 m -62.1 -45.17 94.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.815 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -62.89 -32.33 73.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.5 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.94 -27.38 66.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.605 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -62.63 -25.97 68.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.45 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 86.1 t -63.8 -25.68 38.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.489 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -82.32 -20.66 36.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.484 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -71.12 -40.54 71.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.047 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.435 HG22 ' H ' ' A' ' 42' ' ' VAL . 11.0 m -65.85 -20.34 27.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-O 120.828 0.347 . . . . 0.0 110.818 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.2 t -62.12 -43.1 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.415 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -60.36 -39.99 89.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.589 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.595 HD12 ' N ' ' A' ' 45' ' ' ILE . 1.7 mp -63.96 -44.6 97.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.125 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 48.2 mtt -62.41 -38.92 91.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.485 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -58.25 -43.02 87.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.601 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.0 t -63.09 -43.43 98.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -61.25 -41.17 96.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.064 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.456 ' O ' HG12 ' A' ' 53' ' ' VAL . 82.5 t -67.66 -41.04 85.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.84 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -53.91 -10.03 0.29 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.681 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.427 ' H ' ' C ' ' A' ' 50' ' ' VAL . 57.4 mtpt -74.91 -13.7 60.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.38 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.528 ' C ' ' H ' ' A' ' 55' ' ' GLU . 13.2 p -63.46 -9.03 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.485 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.409 HD22 HG13 ' A' ' 53' ' ' VAL . 4.2 mm? -71.95 26.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.4 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.528 ' H ' ' C ' ' A' ' 53' ' ' VAL . 80.4 mm-40 -46.06 154.79 0.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.198 179.223 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -133.59 152.49 51.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.273 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -78.77 108.96 12.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.383 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -81.3 142.27 33.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.742 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.58 -43.56 98.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.227 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -160.3 -72.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.43 179.614 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.7 m 41.73 75.45 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.768 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -171.84 87.15 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.351 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.7 mt 42.23 77.73 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.558 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -60.95 -51.08 70.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.813 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 55.1 p-10 -147.55 7.26 0.86 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.48 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -63.34 -43.06 98.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.401 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.04 -12.88 60.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.577 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 56.2 t0 58.18 35.16 24.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.481 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.56 119.41 1.69 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.27 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.506 ' H ' HD23 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -90.34 -4.38 57.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.381 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 53.85 -176.43 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.445 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -150.31 151.84 33.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.453 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 174.05 -90.3 0.08 OUTLIER Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 57.13 95.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.362 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.4 p -154.35 88.17 1.21 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.703 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -81.62 -10.38 59.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.6 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -60.72 -45.56 93.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.688 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -62.52 -44.48 96.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.516 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 58.9 p -67.31 -34.26 76.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.652 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.8 t -61.64 -43.34 99.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.597 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.32 -38.12 89.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.731 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.61 95.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.644 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -63.39 -41.78 98.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.373 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.32 -43.31 99.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.266 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -62.73 -42.54 99.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.765 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -61.59 -33.41 73.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.842 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.44 -44.46 72.51 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.523 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.476 ' O ' ' CG ' ' A' ' 89' ' ' TRP . 75.8 m-85 -61.14 -64.08 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.62 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.476 ' CG ' ' O ' ' A' ' 88' ' ' TYR . 99.1 m95 -157.69 -112.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.571 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.491 ' O ' ' CE3' ' A' ' 90' ' ' TRP . 79.0 t90 -155.54 69.32 0.68 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.478 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -79.71 142.5 35.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.582 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -168.56 -78.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.726 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 79.6 mt -83.8 -4.88 59.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.606 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -62.51 -38.55 90.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.268 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 96.4 mmm -62.3 -38.26 88.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.544 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 67.3 mtt -60.67 -35.49 76.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.419 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 61.5 mt -62.17 -41.85 92.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.492 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 32.1 mm -57.3 -46.79 85.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.374 -178.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.47 ' N ' HD12 ' A' ' 99' ' ' LEU . 10.9 mp -63.31 -40.51 97.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 110.369 179.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.36 -36.62 92.77 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.96 -47.15 91.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.805 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 60.1 mt -62.1 -48.16 89.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.321 0.581 . . . . 0.0 110.963 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 104' ' ' ALA . 5.5 p -57.4 -37.12 72.21 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.401 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.455 ' N ' ' SG ' ' A' ' 103' ' ' CYS . . . -58.29 -34.26 70.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.638 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 20.1 mm -63.64 -43.37 98.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.711 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.9 mm -56.0 -37.7 49.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.32 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 57.2 mt -60.99 -37.06 81.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.427 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 61.5 mt -57.09 -41.5 77.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.448 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.561 ' N ' HD12 ' A' ' 109' ' ' ILE . 1.8 mp -60.43 -41.22 86.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.003 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 33.9 mm -61.15 -44.64 98.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.457 -178.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 44.3 mm -63.69 -47.57 90.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.332 . . . . 0.0 110.864 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.439 ' O ' ' OG1' ' A' ' 116' ' ' THR . 85.6 t -66.07 -43.43 92.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.237 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -60.03 -43.95 94.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.793 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -60.29 -44.11 95.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.823 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 77.7 p -71.05 -22.12 62.17 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.603 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 112' ' ' VAL . 6.4 m . . . . . 0 C--N 1.324 -0.526 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.616 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.4 mtp . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.7 p -67.3 -18.58 65.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.66 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.16 153.61 31.03 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.5 p -80.86 166.95 20.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.437 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.85 174.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.516 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 52.16 37.4 21.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.593 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.5 t -70.36 -35.99 73.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.262 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.8 m -43.46 150.86 0.49 Allowed Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.754 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.08 165.15 25.01 Favored 'Trans proline' 0 C--N 1.31 -1.457 0 C-N-CA 122.31 2.007 . . . . 0.0 112.276 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 11' ' ' ALA . 69.4 Cg_exo -47.27 -40.71 28.0 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.526 2.15 . . . . 0.0 111.996 179.006 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 10' ' ' PRO . . . 60.4 137.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.57 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.97 73.31 3.12 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.458 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -59.78 145.03 99.26 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.927 2.418 . . . . 0.0 111.975 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.65 118.19 24.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.371 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.14 -39.2 96.93 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -67.87 142.88 55.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.348 . . . . 0.0 110.495 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.04 -11.56 0.03 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 52.76 -166.61 1.22 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -55.22 156.32 17.0 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.487 2.125 . . . . 0.0 112.075 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.96 -20.76 50.72 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.607 2.205 . . . . 0.0 111.733 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.31 154.64 0.48 Allowed Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.608 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.93 161.8 35.06 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.684 2.256 . . . . 0.0 111.994 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -61.24 167.68 8.94 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.577 2.185 . . . . 0.0 112.088 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -51.8 141.51 44.74 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.321 2.014 . . . . 0.0 112.073 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.447 ' C ' ' H ' ' A' ' 27' ' ' THR . 52.2 p-10 -83.88 -155.4 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.526 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 tp 63.05 0.63 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.561 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.447 ' H ' ' C ' ' A' ' 25' ' ' ASN . 9.9 t -80.45 167.08 20.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.503 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.1 t -63.27 142.44 58.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.452 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -91.39 8.02 38.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.564 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.51 ' C ' ' H ' ' A' ' 32' ' ' LEU . 15.4 mmm180 -64.58 -38.97 92.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.519 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -73.16 29.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.746 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.51 ' H ' ' C ' ' A' ' 30' ' ' ARG . 2.3 pp -60.92 -13.46 16.02 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.627 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -60.82 -41.64 96.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.435 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -65.49 -34.69 78.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.707 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.2 m -61.83 -44.56 96.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.726 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -62.68 -37.02 84.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.618 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.05 -37.95 84.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.603 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -64.32 -40.01 95.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.493 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.2 t -62.85 -44.45 99.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.39 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -64.13 -34.84 78.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.025 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' O ' ' OD2' ' A' ' 44' ' ' ASP . 83.1 tt0 -60.91 -31.05 70.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.573 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.5 t -63.82 -18.61 22.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.622 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.5 t -60.93 -47.74 92.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.738 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' A' ' 41' ' ' GLU . 0.7 OUTLIER -67.67 -38.05 83.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.561 179.729 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.9 mm -64.76 -44.05 96.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.469 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 62.7 ttp -61.92 -39.61 92.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.368 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -58.92 -43.37 91.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.468 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.63 -42.93 97.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.555 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -60.03 -41.34 92.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.043 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.81 -43.44 89.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.106 0.479 . . . . 0.0 110.654 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.14 -19.5 64.82 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.617 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -71.75 -31.11 66.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.424 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 91.5 t -65.84 -27.24 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.64 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.547 ' N ' HD22 ' A' ' 54' ' ' LEU . 3.9 mm? -63.34 -42.24 98.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.715 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -83.49 -17.61 41.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -62.63 -43.32 99.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.643 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 58' ' ' GLN . 99.6 m-20 -63.84 -36.7 84.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.572 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 57' ' ' ASP . 56.2 tt0 42.63 95.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.953 0.406 . . . . 0.0 110.744 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 61' ' ' SER . 69.8 mmtt -63.26 -41.57 99.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.315 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.0 tp -63.53 80.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.491 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 59' ' ' LYS . 2.0 t 173.07 78.39 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.536 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -170.36 29.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.735 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.5 tp 44.8 90.57 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.713 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 64' ' ' ASP . 44.9 p-10 -76.82 126.01 30.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.67 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -61.98 -42.17 98.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.53 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -165.13 -22.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.651 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 62.89 127.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.523 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.84 -41.36 97.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.633 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -131.3 88.14 2.55 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.713 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.3 tp -72.34 -32.31 66.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.587 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -54.61 156.15 3.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.541 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.39 112.96 12.24 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.57 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 78' ' ' GLU . . . -64.37 -36.68 93.49 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.06 175.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.721 0.296 . . . . 0.0 110.445 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 74.38 -160.1 0.07 Allowed 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.69 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -62.39 -30.75 71.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.55 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -58.63 -27.05 64.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.506 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 73' ' ' GLY . 78.9 tt0 -57.55 -32.61 67.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.656 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 68.7 p -60.77 -43.88 97.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.757 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 78.1 p -62.45 -39.89 94.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.488 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.74 -36.27 83.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.578 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.32 -36.15 79.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.491 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -62.6 -42.06 99.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.617 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.13 -41.8 99.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.613 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -77.44 -18.12 57.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.563 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -61.35 -47.08 87.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.141 0.496 . . . . 0.0 110.744 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -66.42 -36.65 83.36 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.575 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -56.81 -46.03 81.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.467 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 75.7 t-105 -148.54 108.69 4.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.761 0.315 . . . . 0.0 110.68 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 -172.95 -86.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.46 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -137.92 148.78 45.61 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.311 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -137.05 -120.64 0.15 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.451 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.4 pp -75.82 -3.04 32.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.59 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -62.37 -42.63 99.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.362 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 96.8 mtp -63.72 -34.27 77.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.764 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 80.5 mtp -62.14 -36.04 80.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.633 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.04 -45.58 98.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.38 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.54 ' N ' HD12 ' A' ' 98' ' ' ILE . 1.5 mp -65.71 -44.37 93.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.937 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.51 -41.21 96.97 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.523 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -56.58 -37.95 78.58 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 74.6 t -61.08 -45.27 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.413 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.6 mm -64.43 -44.46 97.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.429 0.633 . . . . 0.0 110.457 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 90.0 m -63.82 -37.82 88.79 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.609 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.95 74.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.422 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.5 -43.41 98.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.505 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 30.3 mm -54.67 -37.47 39.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.181 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 61.0 mt -61.85 -40.6 95.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.551 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.9 mt -50.6 -40.59 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.53 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.679 ' N ' HD12 ' A' ' 109' ' ' ILE . 1.9 mp -61.97 -42.74 95.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.488 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.74 -43.8 97.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.545 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.1 mp -64.28 -45.2 96.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.274 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 77.9 t -64.95 -44.94 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.268 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -65.8 -38.76 89.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.712 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -60.34 -45.48 93.31 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.627 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 116' ' ' THR . 6.4 m -68.77 -18.04 64.14 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.952 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 115' ' ' SER . 3.9 t . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.95 -1.024 . . . . 0.0 111.393 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.7 ttp . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -67.76 142.55 56.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.526 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.62 141.55 56.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.503 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.429 ' O ' ' O ' ' A' ' 5' ' ' ALA . 65.8 p -82.85 166.37 19.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.527 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 4' ' ' THR . . . 58.62 150.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.553 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.29 -29.02 70.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.611 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 t -145.14 154.86 42.89 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.602 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.431 ' H ' HG22 ' A' ' 8' ' ' VAL . 2.9 m -70.9 150.15 95.06 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.701 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.68 165.64 24.85 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.38 2.053 . . . . 0.0 112.33 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -50.55 141.8 32.66 Favored 'Trans proline' 0 C--N 1.312 -1.392 0 C-N-CA 122.425 2.084 . . . . 0.0 111.963 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -124.48 152.77 42.95 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.469 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.4 73.23 5.51 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.457 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -60.07 145.32 98.7 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.808 2.339 . . . . 0.0 112.113 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.88 89.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.499 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.26 103.75 1.14 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -75.4 -80.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.721 0.295 . . . . 0.0 110.566 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.8 -161.07 34.36 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.769 -0.933 . . . . 0.0 110.769 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -146.98 71.88 0.32 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.07 158.82 16.51 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.606 2.204 . . . . 0.0 112.076 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.38 48.03 1.19 Allowed 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.794 2.329 . . . . 0.0 111.897 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.512 ' N ' ' CD ' ' A' ' 22' ' ' PRO . . . -164.88 50.04 0.23 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.449 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 28.7 Cg_endo -62.98 163.39 22.54 Favored 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.69 2.26 . . . . 0.0 112.215 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.451 ' C ' ' H ' ' A' ' 25' ' ' ASN . 74.3 Cg_exo -40.36 155.82 0.05 OUTLIER 'Trans proline' 0 C--N 1.311 -1.436 0 C-N-CA 122.587 2.191 . . . . 0.0 112.204 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -68.7 14.28 0.2 Allowed 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.725 2.284 . . . . 0.0 111.869 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.451 ' H ' ' C ' ' A' ' 23' ' ' PRO . 52.8 t-20 57.86 81.85 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.867 0.365 . . . . 0.0 110.619 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.4 mt -75.47 169.15 18.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.545 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.4 p 53.99 -178.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.53 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.0 p -154.29 162.65 41.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.626 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -62.72 -40.19 96.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.473 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -146.52 140.15 25.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.666 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -66.5 -23.33 66.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.847 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 73.6 mt -76.79 2.91 13.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.502 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -57.81 -41.63 82.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.394 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.603 ' C ' ' H ' ' A' ' 36' ' ' GLN . 89.3 mt-30 -64.85 -38.94 92.68 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.996 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.8 m 63.03 -33.16 0.11 Allowed 'General case' 0 CA--C 1.531 0.243 0 O-C-N 123.818 0.699 . . . . 0.0 110.903 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.603 ' H ' ' C ' ' A' ' 34' ' ' GLN . 99.5 mt-30 -57.09 -13.82 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.521 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.413 ' C ' ' N ' ' A' ' 39' ' ' VAL . . . -62.51 -35.22 78.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.479 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -46.47 -20.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.486 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 36' ' ' GLN . 10.7 p -59.31 -30.9 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.392 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.469 ' O ' HG12 ' A' ' 43' ' ' VAL . 65.2 t0 -64.25 -39.69 94.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.547 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -66.68 -35.99 81.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.579 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.406 ' O ' HG12 ' A' ' 42' ' ' VAL . 97.7 t -53.21 -15.99 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.506 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.596 HG13 ' N ' ' A' ' 44' ' ' ASP . 9.5 p -60.07 -46.42 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.009 0.433 . . . . 0.0 110.591 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.596 ' N ' HG13 ' A' ' 43' ' ' VAL . 64.4 t0 -62.44 -42.69 99.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.522 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 35.2 mm -63.68 -43.76 98.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.475 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 37.0 ttm -61.86 -40.07 94.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.534 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -59.61 -42.75 93.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.314 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.46 -43.73 98.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.572 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -61.03 -41.16 96.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.171 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.3 t -67.11 -38.59 81.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.106 0.479 . . . . 0.0 110.858 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 51' ' ' ASP . 35.4 t0 -53.01 -17.76 1.64 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.739 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -65.95 -39.01 90.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.444 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.481 ' C ' ' H ' ' A' ' 55' ' ' GLU . 68.9 t -62.19 -44.53 99.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.657 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.585 HD22 ' N ' ' A' ' 54' ' ' LEU . 3.7 mm? -73.75 36.59 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.647 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' A' ' 53' ' ' VAL . 22.3 pt-20 -62.41 -33.1 74.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.497 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -69.4 148.22 49.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.563 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -63.87 124.75 22.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.582 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -65.15 138.31 58.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.519 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.5 pttp -84.48 -95.85 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.415 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.9 mt 46.0 -119.5 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.53 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.9 t 40.75 62.19 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.749 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -61.26 -44.3 97.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.472 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.3 tp -171.72 48.34 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.636 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -91.15 116.72 29.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.47 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 34.7 p-10 -93.48 0.63 56.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.559 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 -91.95 -5.71 52.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.501 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.65 -38.31 90.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.474 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.46 ' C ' ' H ' ' A' ' 70' ' ' LEU . 39.1 p-10 -79.25 -3.24 44.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.466 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 50.15 12.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.585 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.46 ' H ' ' C ' ' A' ' 68' ' ' ASP . 51.3 tp -111.48 127.0 55.56 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.526 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -48.76 167.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.451 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -155.23 154.7 32.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.612 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.07 129.29 40.84 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.78 -37.91 89.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.734 0.302 . . . . 0.0 110.616 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.1 m -63.39 144.72 56.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.495 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.521 ' C ' ' H ' ' A' ' 78' ' ' GLU . 36.4 tp60 -93.79 13.61 21.91 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.339 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.454 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 44.2 t80 62.74 -3.2 0.32 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.557 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.521 ' H ' ' C ' ' A' ' 76' ' ' GLN . 45.1 tp10 -68.33 -32.72 73.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.33 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 62.5 p -64.43 -34.33 77.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.586 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.1 m -60.86 -42.41 97.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.603 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.2 -17.59 49.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.711 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.22 -28.36 69.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.549 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -64.42 -43.54 94.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.723 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.549 ' N ' HD12 ' A' ' 84' ' ' LEU . 10.2 mp -63.4 -41.08 98.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.336 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -63.04 -41.88 99.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.439 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -59.26 -36.04 74.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.022 0.439 . . . . 0.0 110.577 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -62.02 -41.73 98.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.485 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -68.84 -56.3 8.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.592 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -63.06 -38.82 92.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.656 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.528 ' O ' ' CD2' ' A' ' 90' ' ' TRP . 77.1 t90 56.31 18.7 3.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.493 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 84.3 tttt 56.96 71.82 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.509 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 54.8 p30 -101.15 12.55 37.38 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.515 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.49 -43.79 97.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.438 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.2 -39.52 94.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.519 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 26.0 tpp -62.54 -39.91 95.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.513 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 47.7 ttp -60.13 -44.08 95.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.581 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 65.2 mt -64.91 -45.31 95.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.467 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.9 mm -64.08 -43.48 97.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.446 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.9 tp -61.38 -38.79 88.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.326 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -58.65 -34.59 77.35 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 79.7 t -61.28 -47.67 92.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.509 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.577 HD12 ' N ' ' A' ' 102' ' ' ILE . 1.7 mp -63.79 -43.77 98.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.24 0.543 . . . . 0.0 110.437 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 92.2 m -60.31 -35.64 76.05 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.445 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.86 -34.98 73.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.3 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 21.4 mm -63.57 -43.52 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.115 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.27 -42.66 96.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.166 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.28 -42.62 98.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.693 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 91.3 mt -62.26 -42.83 96.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.392 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.16 -43.03 97.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.482 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.31 -44.79 99.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.395 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.1 mm -65.24 -44.54 95.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.74 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 73.1 t -67.28 -42.88 88.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.254 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -60.36 -44.37 95.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.808 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -62.52 -26.97 68.84 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.668 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 72.4 p -82.08 -10.9 59.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.546 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.5 m . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.535 -179.937 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.479 ' C ' ' N ' ' A' ' 3' ' ' ALA . 11.6 ptt? . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m 47.36 14.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.658 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.479 ' N ' ' C ' ' A' ' 1' ' ' MET . . . -62.92 -38.11 89.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.592 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.458 HG22 ' H ' ' A' ' 4' ' ' THR . 0.1 OUTLIER -65.41 -41.79 93.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.461 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.57 93.67 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.52 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -145.67 139.35 26.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.223 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 89.5 m -129.28 131.67 47.02 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.193 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.3 m -140.97 149.2 55.19 Favored Pre-proline 0 C--O 1.233 0.234 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.627 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -37.97 155.59 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 122.588 2.192 . . . . 0.0 112.307 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -68.53 -57.92 0.13 Allowed 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 122.581 2.187 . . . . 0.0 112.034 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 12' ' ' ALA . . . -167.72 158.49 11.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.371 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.63 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -44.18 170.51 0.05 OUTLIER Pre-proline 0 CA--C 1.537 0.467 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.597 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.63 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 52.3 Cg_exo -50.96 -43.85 45.27 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.386 2.057 . . . . 0.0 112.139 179.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 178.42 -101.22 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.551 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.72 170.65 43.79 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -157.81 159.19 36.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.71 0.291 . . . . 0.0 110.44 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -146.72 14.52 1.57 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 170.7 168.57 32.65 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.536 ' O ' ' N ' ' A' ' 21' ' ' ALA . 36.3 Cg_endo -66.42 163.67 31.43 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.528 2.152 . . . . 0.0 112.101 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 21' ' ' ALA . 77.3 Cg_exo -43.81 82.24 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.723 2.282 . . . . 0.0 112.436 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . 38.6 91.13 0.06 OUTLIER Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.614 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -77.67 115.67 3.9 Favored 'Trans proline' 0 C--N 1.313 -1.311 0 C-N-CA 121.846 1.697 . . . . 0.0 111.857 -179.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.501 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 35.3 Cg_exo -50.87 -43.1 48.89 Favored 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 121.613 1.542 . . . . 0.0 111.99 178.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 23' ' ' PRO . 31.7 Cg_exo -56.75 -58.65 0.87 Allowed 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 121.826 1.684 . . . . 0.0 112.323 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 56.7 28.66 14.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.784 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' ' 29' ' ' ASN . 9.0 mp -64.81 -39.89 94.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.441 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.8 p -42.74 -64.66 0.58 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.872 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.5 m -60.87 -43.49 98.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.434 ' O ' ' O ' ' A' ' 26' ' ' LEU . 92.5 m-20 -76.4 175.52 9.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.596 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -169.46 -122.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.797 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -58.08 -17.07 15.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.861 0.362 . . . . 0.0 110.494 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.1 mt -81.34 1.21 33.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.549 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -57.04 -41.66 79.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.251 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -64.0 -39.42 94.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.726 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.0 m -62.64 -45.39 93.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.718 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.406 ' C ' ' H ' ' A' ' 38' ' ' GLN . 86.9 mt-30 -63.9 -39.39 94.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.601 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.05 -11.09 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.638 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.406 ' H ' ' C ' ' A' ' 36' ' ' GLN . 58.1 tt0 -55.18 -39.5 69.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.518 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 40' ' ' ASP . 9.3 p -64.83 -39.67 86.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.522 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.471 ' N ' HG13 ' A' ' 39' ' ' VAL . 93.5 m-20 -68.92 -20.65 64.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.793 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -65.97 -40.55 91.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.548 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.9 t -64.04 -43.93 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.398 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.2 t -60.29 -42.39 90.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.224 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.88 -40.77 94.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.597 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.9 -43.76 97.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.704 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 68.8 mmm -64.43 -39.95 94.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.461 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -61.92 -42.92 99.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.611 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 73.7 t -64.12 -42.66 96.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -60.2 -40.64 90.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.142 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.7 t -65.03 -43.1 96.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.078 0.466 . . . . 0.0 110.58 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -66.75 -27.94 68.01 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.705 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 55' ' ' GLU . 88.5 tttt -66.35 -35.67 80.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.035 0.445 . . . . 0.0 110.403 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.8 t -62.86 -44.62 99.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.399 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.54 -42.64 99.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.692 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 52' ' ' LYS . 22.3 pt-20 -167.98 -156.48 0.19 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.747 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.0 ttp85 56.49 79.79 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.484 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -78.82 169.27 18.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.561 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -61.85 134.37 56.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.369 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -62.92 -42.95 99.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.603 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.1 tp -123.46 126.34 46.57 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.889 0.376 . . . . 0.0 110.381 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.3 t -172.58 -31.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.809 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -171.48 -31.93 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.662 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.6 tp -56.26 99.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.477 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -159.46 -99.16 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.641 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.74 -44.06 97.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.745 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -154.66 151.62 29.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.703 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -164.14 -21.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.525 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.486 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 99.6 m-20 -62.14 -43.41 98.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.563 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 68' ' ' ASP . . . 68.71 106.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.378 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.4 ' H ' HD23 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -95.26 153.79 17.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.217 -179.857 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.521 ' O ' ' N ' ' A' ' 73' ' ' GLY . 88.2 mt-30 52.33 -94.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.608 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 52.41 -84.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.549 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 71' ' ' GLN . . . 75.58 22.21 75.66 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.34 -12.3 60.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.783 0.325 . . . . 0.0 110.554 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.0 t 55.25 78.41 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.648 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -80.08 -16.08 55.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.597 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -61.8 -45.05 95.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.697 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.01 -38.51 88.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.52 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.1 p -64.36 -41.82 96.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.597 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 78.5 p -62.11 -40.01 94.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.585 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.89 -19.93 56.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.706 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.98 97.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.649 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.84 -44.92 91.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.726 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.9 mt -63.17 -42.06 99.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.445 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -60.4 -42.47 96.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.587 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -78.94 -28.37 43.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.74 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -56.94 -44.03 82.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.392 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -73.86 -111.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.533 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 35.3 p-90 -173.46 36.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.399 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -61.38 -43.55 98.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.357 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -128.99 145.04 51.35 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.435 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -90.37 146.71 23.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.146 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.489 ' H ' HD23 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -82.74 -0.4 47.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.063 -179.65 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.34 -36.8 78.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.404 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 73.9 mtm -63.39 -39.06 93.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.426 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 90.1 mmm -66.47 -39.35 88.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.3 -49.6 83.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.106 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.0 tt -66.69 -38.01 80.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.673 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 31.2 mt -62.98 -39.76 95.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.343 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.15 -33.81 85.63 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 85.6 t -62.99 -44.24 99.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.812 0.339 . . . . 0.0 110.729 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 12.9 mm -63.57 -45.21 98.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.205 0.526 . . . . 0.0 110.583 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 104' ' ' ALA . 5.6 p -64.07 -37.92 89.19 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.557 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.473 ' N ' ' SG ' ' A' ' 103' ' ' CYS . . . -59.82 -37.65 79.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.593 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.3 -43.38 98.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.508 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 63.1 mt -57.76 -30.89 38.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.142 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 53.5 tp -68.52 -36.27 78.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.757 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 42.0 mm -59.76 -48.45 87.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.209 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 18.5 pt -65.21 -39.46 85.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.842 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 78.0 mt -60.83 -42.32 92.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.5 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.9 mm -61.45 -42.08 92.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.336 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 116' ' ' THR . 81.0 t -60.81 -45.39 98.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.826 0.346 . . . . 0.0 110.123 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -63.67 -38.46 91.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -60.27 -45.18 94.21 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.809 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.5 m -89.98 -15.82 31.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.863 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.0 m . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 118.099 -0.953 . . . . 0.0 111.114 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 ptp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m 49.5 18.99 0.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -64.29 -38.12 89.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.506 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.435 ' O ' ' O ' ' A' ' 3' ' ' ALA . 45.9 p 51.62 173.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.38 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -149.91 -28.75 0.24 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.496 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.84 -40.68 93.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.58 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 97.9 m -125.17 128.13 47.88 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.935 0.397 . . . . 0.0 110.435 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.434 HG22 ' H ' ' A' ' 8' ' ' VAL . 4.0 m -75.57 149.13 83.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.636 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -68.97 161.84 44.12 Favored 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 122.479 2.119 . . . . 0.0 112.269 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -68.63 152.58 74.5 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.879 2.386 . . . . 0.0 111.898 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.28 143.19 56.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.336 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -163.82 72.39 1.78 Allowed Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.428 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -59.76 145.57 97.83 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.796 2.331 . . . . 0.0 112.062 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.37 -37.28 86.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.361 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 16' ' ' GLU . . . 75.4 -87.44 0.81 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 15' ' ' GLY . 80.4 mm-40 -52.61 -173.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.803 0.335 . . . . 0.0 110.407 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 67.34 -129.43 28.57 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.36 -166.75 29.63 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -52.34 157.15 7.11 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.604 2.203 . . . . 0.0 112.089 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -68.75 154.88 70.41 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 122.73 2.287 . . . . 0.0 111.984 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.586 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -45.38 163.74 0.2 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.387 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.586 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 73.8 Cg_exo -41.34 154.24 0.08 OUTLIER 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.707 2.271 . . . . 0.0 112.184 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -68.26 161.71 43.49 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.665 2.243 . . . . 0.0 112.108 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.47 146.38 84.98 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.759 2.306 . . . . 0.0 111.689 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -92.66 105.26 17.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.205 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.421 ' HG ' ' H ' ' A' ' 28' ' ' SER . 51.5 tp -122.09 122.33 39.0 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.248 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 m -107.29 44.44 1.07 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.54 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.421 ' H ' ' HG ' ' A' ' 26' ' ' LEU . 13.8 t -61.07 -43.44 98.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.455 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -85.24 161.27 19.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.456 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 85.4 mtp180 43.34 65.8 0.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.686 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -65.94 -21.54 66.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.594 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.1 mt -80.81 8.12 8.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.451 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.422 ' HA ' HE21 ' A' ' 36' ' ' GLN . 58.4 tt0 -61.57 -42.83 99.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.548 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.42 HE21 ' HB2' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -74.74 -25.57 59.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.772 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.9 m -63.17 -46.63 86.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.82 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.422 HE21 ' HA ' ' A' ' 33' ' ' GLN . 27.2 pt20 -80.09 -12.18 59.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.663 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.51 -13.04 61.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.604 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -49.84 -23.7 2.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.529 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.5 p -60.64 -26.82 39.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.363 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -61.5 -37.72 84.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.497 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.44 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 76.6 mm-40 -65.68 -29.53 70.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.472 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 82.4 t -69.59 -25.09 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.742 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.5 t -62.05 -47.1 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.715 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 41' ' ' GLU . 2.4 p-10 -71.69 -39.63 70.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.728 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.55 -43.9 98.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.928 0.394 . . . . 0.0 110.448 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.8 ttm -61.54 -39.83 92.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.531 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -57.77 -42.72 84.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.511 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.89 -43.09 94.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.513 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -58.25 -37.6 75.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.26 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.48 -29.55 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.086 0.47 . . . . 0.0 110.536 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.446 ' O ' ' OE1' ' A' ' 55' ' ' GLU . 86.1 m-20 -78.37 -28.58 47.11 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.802 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -68.83 -41.79 78.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.986 0.422 . . . . 0.0 110.971 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.5 m -74.11 -13.85 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.847 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.449 ' C ' ' H ' ' A' ' 56' ' ' ARG . 58.0 tp -62.83 -38.14 89.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.751 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.471 ' OE1' ' N ' ' A' ' 55' ' ' GLU . 57.9 mp0 -75.38 33.79 0.11 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.127 -179.131 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.449 ' H ' ' C ' ' A' ' 54' ' ' LEU . 80.5 mtp85 -112.85 6.42 17.94 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.524 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -61.11 -44.93 96.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.626 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -77.79 143.74 37.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.644 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -67.32 -79.14 0.05 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.401 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.56 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.8 mm? -90.11 141.59 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.1 0.476 . . . . 0.0 110.39 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.8 m -102.71 -83.55 0.47 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.813 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -126.25 -11.21 6.39 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 120.974 0.416 . . . . 0.0 110.71 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.548 ' N ' HD12 ' A' ' 63' ' ' LEU . 10.4 mp -61.01 -39.32 89.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.2 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -42.46 -61.91 1.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.347 . . . . 0.0 110.769 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 48.2 p-10 -169.39 171.36 7.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.633 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -75.2 86.16 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.415 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -111.68 131.17 55.47 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.922 0.391 . . . . 0.0 110.607 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -64.04 -41.78 97.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.675 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -174.77 -107.73 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.476 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.538 HD12 ' N ' ' A' ' 70' ' ' LEU . 10.5 mp -63.19 -41.48 99.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.0 0.429 . . . . 0.0 110.599 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -61.43 128.27 35.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.574 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 46.45 38.58 5.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.58 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.51 -121.82 0.28 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.29 -123.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.746 0.308 . . . . 0.0 110.512 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.563 ' C ' ' H ' ' A' ' 77' ' ' PHE . 23.9 p -77.99 -65.15 1.01 Allowed 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.811 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 64.54 -9.62 0.17 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.506 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.563 ' H ' ' C ' ' A' ' 75' ' ' SER . 48.1 m-85 -78.69 -152.61 0.06 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.415 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -92.76 -13.38 29.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.743 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.524 HG23 ' N ' ' A' ' 80' ' ' SER . 11.6 t -60.45 -43.23 97.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.582 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.524 ' N ' HG23 ' A' ' 79' ' ' THR . 94.7 p -60.81 -37.04 80.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.516 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.04 -22.2 65.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.6 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.38 -36.0 80.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.627 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -61.44 -42.27 98.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.464 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.2 tp -63.3 -42.7 99.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.489 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.43 -43.54 98.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.428 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 89' ' ' TRP . 78.9 mtp85 -63.52 -43.65 96.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.771 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -64.52 -47.65 78.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.566 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -61.92 -47.12 86.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.595 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.428 ' O ' ' O ' ' A' ' 86' ' ' ARG . 75.4 t-105 -93.71 118.0 30.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.487 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -83.07 133.78 35.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -79.77 129.51 34.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.231 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -139.79 27.12 2.24 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.519 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 49.2 tp -63.11 -34.13 76.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.43 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -59.75 -39.8 86.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.393 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 65.0 mtt -63.97 -37.43 87.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.394 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 6.9 ttt -61.2 -35.74 77.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.78 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 95.4 mt -61.75 -42.37 94.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.266 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 96.6 mt -58.84 -47.08 90.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.567 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.468 HD22 ' N ' ' A' ' 99' ' ' LEU . 4.0 mm? -64.6 -38.05 89.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.366 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -58.29 -38.92 91.74 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.32 -47.87 91.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.464 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 53.8 mt -62.43 -47.92 90.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.407 0.622 . . . . 0.0 110.588 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 93.1 m -58.69 -38.87 79.2 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.409 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.06 -35.0 64.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.28 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 67.6 mt -63.28 -42.06 95.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.595 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 64.6 mt -60.8 -43.59 95.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.654 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.05 -41.27 97.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.509 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.401 ' O ' HG23 ' A' ' 112' ' ' VAL . 96.8 mt -63.16 -43.24 98.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.432 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.39 -43.34 98.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.396 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 93.8 mt -61.94 -43.01 96.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.39 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.21 -42.13 94.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.654 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 108' ' ' ILE . 52.1 t -57.36 -29.91 34.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -96.16 -17.52 20.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.489 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -61.35 -45.42 94.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.062 0.458 . . . . 0.0 110.897 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 116' ' ' THR . 8.6 t -63.36 -20.41 65.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.946 -179.507 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 115' ' ' SER . 4.9 t . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.038 -0.982 . . . . 0.0 111.364 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.9 p -62.53 -36.4 82.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.541 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.65 141.72 55.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.38 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.8 p -137.4 156.6 48.0 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.462 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -159.86 150.86 19.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.481 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -163.94 154.87 15.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.246 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.5 p -134.29 156.18 48.89 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.19 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.5 t -143.88 129.64 9.91 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.654 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -73.13 161.48 43.11 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 122.203 1.936 . . . . 0.0 112.288 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -62.95 -28.96 75.45 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.757 2.305 . . . . 0.0 111.834 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 43.25 33.84 0.63 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.617 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.416 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . -155.88 55.19 1.07 Allowed Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.586 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.416 ' CD ' ' N ' ' A' ' 12' ' ' ALA . 55.6 Cg_endo -69.36 152.18 71.36 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.804 2.336 . . . . 0.0 111.999 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.85 141.2 55.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.3 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -160.99 86.7 0.11 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 53.36 33.53 15.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.568 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.4 169.73 51.34 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.73 166.24 37.43 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -67.53 161.97 41.12 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.608 2.205 . . . . 0.0 112.028 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.38 177.25 5.5 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.766 2.311 . . . . 0.0 111.687 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.54 72.96 11.74 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.35 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -78.41 160.53 28.9 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.483 2.122 . . . . 0.0 112.129 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.22 161.72 41.7 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.508 2.138 . . . . 0.0 112.007 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.09 147.89 80.28 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.839 2.36 . . . . 0.0 111.759 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -153.14 147.79 26.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.387 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 68.1 mt -81.95 79.69 8.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.221 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.8 m -62.11 -45.58 92.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.378 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.9 p -157.42 162.83 39.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.587 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -73.19 166.01 23.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.522 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -57.95 96.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.427 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.441 ' O ' ' OG1' ' A' ' 35' ' ' THR . 95.4 mtt-85 -63.03 -36.34 83.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.728 ' H ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -60.93 -43.68 98.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.163 -179.71 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -65.22 -39.9 93.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.406 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -64.42 -29.49 70.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.777 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -76.62 175.97 8.81 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.081 0.467 . . . . 0.0 110.438 -179.563 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.436 ' C ' ' N ' ' A' ' 38' ' ' GLN . 98.9 mm-40 -80.35 -12.07 59.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.476 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.81 -12.41 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.938 0.399 . . . . 0.0 110.601 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.436 ' N ' ' C ' ' A' ' 36' ' ' GLN . 66.6 tp60 -57.24 -28.46 62.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.287 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.6 m -62.09 -7.29 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.373 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 41' ' ' GLU . 42.2 p-10 -63.88 -35.66 81.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.522 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.505 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 98.1 mt-10 -66.36 -38.19 87.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.714 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.478 ' O ' ' SD ' ' A' ' 46' ' ' MET . 91.2 t -54.3 -16.78 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.491 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.17 -43.56 98.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.637 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 45' ' ' ILE . 2.5 p30 -62.84 -35.06 78.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.609 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.533 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 57.6 mt -63.63 -43.86 98.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.463 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.569 ' SD ' ' N ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -62.88 -38.37 90.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.34 -179.851 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -61.84 -40.65 96.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.51 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.21 -43.46 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.569 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -59.13 -40.47 85.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.048 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.9 t -66.14 -43.57 92.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.14 0.495 . . . . 0.0 110.81 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -74.42 -15.07 60.93 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.839 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -66.84 -33.74 76.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.318 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.0 t -63.88 -44.55 98.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.795 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 56.8 mt -86.37 31.84 0.65 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.575 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -68.65 -169.56 0.17 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.55 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -75.56 145.75 41.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.632 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.79 141.0 58.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.499 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -51.55 -99.49 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.601 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -140.91 44.41 1.81 Allowed 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.797 0.332 . . . . 0.0 110.528 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.537 ' N ' HD12 ' A' ' 60' ' ' LEU . 10.5 mp -63.16 -41.94 99.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.541 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.611 ' C ' ' H ' ' A' ' 63' ' ' LEU . 6.2 p -153.48 -82.48 0.08 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.494 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 65.19 -29.04 0.11 Allowed 'General case' 0 N--CA 1.464 0.254 0 O-C-N 123.64 0.587 . . . . 0.0 111.15 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.611 ' H ' ' C ' ' A' ' 61' ' ' SER . 4.5 mm? -89.84 5.3 46.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.53 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.466 ' O ' ' O ' ' A' ' 63' ' ' LEU . 98.4 m-20 -52.57 -106.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.479 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -155.34 -38.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.486 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -62.61 -43.4 98.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.613 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.63 -37.83 88.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.536 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -62.38 -42.13 99.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 56.54 61.04 2.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.574 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.6 tp -62.83 -42.53 99.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.465 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.555 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 58.2 tt0 -48.51 -90.06 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.378 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 71' ' ' GLN . . . 170.11 162.21 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.919 0.39 . . . . 0.0 110.161 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.84 -140.01 46.84 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.19 -31.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.772 0.32 . . . . 0.0 110.71 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 45.2 t -156.48 165.03 37.5 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.595 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -75.82 -118.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.529 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -95.94 -1.25 49.57 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.531 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -62.6 -40.36 96.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.399 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.0 t -66.12 -36.21 82.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.531 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.7 t -61.45 -43.12 99.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.634 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.56 -38.27 90.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.663 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.85 92.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.419 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -62.48 -45.48 92.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.645 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.2 tp -62.93 -40.6 98.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.183 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 1.6 tmmm? -62.87 -41.4 99.36 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.803 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -65.74 -36.9 84.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.108 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -51.97 -38.83 58.01 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.495 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -74.83 161.12 29.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.392 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -46.02 -55.11 7.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.544 -179.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -173.24 89.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.311 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.469 ' O ' ' CG ' ' A' ' 85' ' ' LYS . 98.2 mttt -113.64 148.69 35.82 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.502 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.422 ' O ' ' OD1' ' A' ' 92' ' ' ASN . 53.7 p30 -133.69 66.69 1.54 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.559 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 93' ' ' LEU . 10.4 mp -62.94 -38.85 92.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.321 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -58.38 -43.56 88.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.411 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 66.0 mtt -64.74 -39.51 93.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.907 0.384 . . . . 0.0 110.447 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 62.9 ttp -61.52 -40.97 96.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.335 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.93 -43.51 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.497 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.67 -43.14 98.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.333 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.71 -40.31 96.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.65 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.6 -34.92 90.2 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.412 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 73.9 t -61.84 -46.76 95.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.601 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 59.7 mt -59.88 -48.24 88.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.416 0.627 . . . . 0.0 110.619 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 72.2 m -56.56 -35.06 67.73 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.472 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -55.53 -39.44 70.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.589 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.519 ' N ' HD12 ' A' ' 105' ' ' ILE . 1.9 mp -62.85 -40.52 89.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.262 -0.427 . . . . 0.0 109.858 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.54 ' O ' HG22 ' A' ' 109' ' ' ILE . 61.3 mt -57.91 -48.19 84.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.415 -178.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 107' ' ' LEU . 11.0 mp -63.44 -39.88 95.67 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.057 0.456 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 88.7 mt -62.38 -43.18 97.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.003 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.54 HG22 ' O ' ' A' ' 106' ' ' ILE . 1.5 tp -53.21 -33.84 21.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.032 0.444 . . . . 0.0 110.027 -178.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 44.4 mm -65.49 -43.02 94.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.697 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 37.5 mm -59.32 -51.87 67.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.018 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.412 ' H ' HG22 ' A' ' 112' ' ' VAL . 15.3 m -67.83 -42.93 86.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.989 0.423 . . . . 0.0 110.544 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.407 ' N ' HG23 ' A' ' 112' ' ' VAL . 87.8 t80 -59.65 -43.57 93.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.814 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -59.9 -43.99 94.5 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.749 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.3 m -85.38 -7.02 59.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.686 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 31.0 m . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.575 -179.895 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.4 ttp . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.8 t -152.28 149.18 28.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.506 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.82 143.23 57.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.625 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.0 p -78.95 164.92 24.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.515 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.76 141.52 57.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.38 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.87 117.62 28.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.351 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.6 p -135.92 157.59 46.47 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.231 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.1 t -145.23 62.63 9.1 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.296 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -74.12 165.22 32.5 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.429 2.086 . . . . 0.0 112.272 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -50.22 137.74 37.81 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.333 2.022 . . . . 0.0 112.095 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.46 -12.12 59.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.458 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.451 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 61.41 53.26 2.65 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.493 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 12' ' ' ALA . 39.3 Cg_endo -66.36 -21.18 54.42 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.812 2.341 . . . . 0.0 112.04 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.05 142.85 55.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.6 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -159.38 92.02 0.12 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.25 138.26 57.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.895 0.378 . . . . 0.0 110.497 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 169.67 142.2 3.48 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -177.92 74.61 0.07 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -52.04 156.03 7.94 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.681 2.254 . . . . 0.0 112.002 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.1 -28.06 56.96 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 122.67 2.246 . . . . 0.0 111.853 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 43.32 69.93 2.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.44 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -51.1 155.62 6.04 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.773 2.315 . . . . 0.0 112.202 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.9 166.85 19.21 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.356 2.038 . . . . 0.0 112.282 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.05 143.21 51.42 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.494 2.129 . . . . 0.0 112.131 178.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -65.86 137.74 57.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.432 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.589 ' N ' HD12 ' A' ' 26' ' ' LEU . 9.5 mp -75.43 148.56 39.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.417 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.4 p 48.77 -151.27 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.436 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.9 t 43.84 -162.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.668 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.428 ' C ' ' H ' ' A' ' 31' ' ' ARG . 87.5 m-20 54.68 94.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.621 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.489 ' C ' ' H ' ' A' ' 32' ' ' LEU . 85.2 mtp180 -75.57 39.28 0.16 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.669 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.428 ' H ' ' C ' ' A' ' 29' ' ' ASN . 95.7 mtt-85 -74.73 26.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.722 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.489 ' H ' ' C ' ' A' ' 30' ' ' ARG . 87.4 mt -63.29 -42.23 99.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.896 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -58.21 -39.25 78.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.373 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -63.33 -30.72 71.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.442 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.3 m -62.57 -45.39 93.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.738 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -59.92 -39.56 85.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.565 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.09 -13.13 61.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.685 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.481 ' NE2' ' OE1' ' A' ' 41' ' ' GLU . 61.1 tp60 -65.15 -26.47 68.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.311 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.545 ' O ' HG12 ' A' ' 42' ' ' VAL . 92.9 t -63.11 -46.47 95.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.512 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 65.4 t0 -65.42 -37.41 86.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.609 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.481 ' OE1' ' NE2' ' A' ' 38' ' ' GLN . 97.0 mt-10 -58.96 -19.93 47.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.77 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 39' ' ' VAL . 8.1 p -48.4 -25.58 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.429 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.6 t -61.97 -44.04 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.297 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.401 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 65.5 t0 -58.63 -44.71 90.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.715 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.419 HD12 ' H ' ' A' ' 45' ' ' ILE . 3.7 mp -64.69 -42.56 95.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.39 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 91.2 mtp -61.65 -41.32 97.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.493 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.401 ' HE ' ' HA ' ' A' ' 44' ' ' ASP . 86.5 mtm180 -63.19 -39.55 94.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.578 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.6 t -63.9 -43.87 97.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.607 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -61.5 -42.07 98.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.32 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.405 ' C ' ' H ' ' A' ' 52' ' ' LYS . 99.2 t -71.82 -28.33 30.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.141 0.496 . . . . 0.0 110.851 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -56.18 -9.24 0.61 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.599 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' A' ' 50' ' ' VAL . 63.9 pttt -62.65 -19.68 64.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.396 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.0 p -63.51 -35.63 73.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.394 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -62.83 -43.26 99.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.21 0.529 . . . . 0.0 110.448 -179.188 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 54' ' ' LEU . 22.7 tp10 -60.32 -132.01 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.402 -179.368 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' A' ' 55' ' ' GLU . 56.3 ttp180 57.57 153.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.737 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 43.3 t0 52.67 86.62 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.527 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -142.92 147.44 35.27 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.994 0.426 . . . . 0.0 110.392 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -62.16 -44.49 96.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.702 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.1 mt -83.85 131.38 34.88 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.311 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.7 t -172.86 -54.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.801 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -165.03 -40.13 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.571 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 63' ' ' LEU . 3.8 mm? -81.19 133.07 35.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.56 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 40.1 t0 -153.85 159.05 41.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.58 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.513 ' N ' ' OD1' ' A' ' 64' ' ' ASP . 99.5 m-20 53.28 170.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.559 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 47.99 85.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.505 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.04 142.61 25.4 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.544 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 55.3 t0 55.92 27.31 10.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.519 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 71' ' ' GLN . . . -77.55 -58.2 3.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.644 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.6 tp 42.95 19.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.668 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 69' ' ' ALA . 51.7 mt-30 -62.7 131.08 47.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.589 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.24 142.4 57.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.459 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -93.5 8.87 74.57 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.75 97.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.684 0.278 . . . . 0.0 110.556 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.3 m -72.49 150.68 43.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.659 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -59.13 -175.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.508 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -82.81 -1.02 50.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.419 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -80.12 -37.31 33.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.663 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.9 m -62.35 -44.99 95.19 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 120.826 0.346 . . . . 0.0 110.814 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.2 t -61.64 -43.07 99.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.467 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.88 -37.28 86.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.647 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.84 -47.95 79.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.635 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -61.65 -42.51 98.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.431 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.97 -41.29 97.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.417 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.1 -35.93 78.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.56 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -64.22 -43.73 94.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -104.42 31.18 4.81 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.81 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -59.75 -46.93 87.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.449 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -148.25 -19.18 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.577 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 75.0 t-105 -162.33 115.56 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.425 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.453 ' CD ' ' H ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -79.62 155.98 27.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.197 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.411 ' O ' ' OD1' ' A' ' 92' ' ' ASN . 50.5 p30 -77.65 73.47 4.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.637 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 83.3 mt -83.64 -7.06 59.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.334 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -63.73 -34.18 77.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.524 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 97.1 mtp -64.86 -38.95 92.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.658 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 36.9 ttm -61.89 -36.23 80.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.316 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.4 mm -61.68 -46.74 95.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.654 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 35.7 mm -64.51 -43.43 96.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.113 0.483 . . . . 0.0 110.292 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.7 tt -62.02 -39.42 92.21 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.802 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -59.3 -34.76 81.8 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 94.5 t -63.31 -44.86 99.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 110.67 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.8 mm -64.36 -44.14 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.342 0.592 . . . . 0.0 110.453 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 82.8 m -63.09 -36.29 83.09 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.455 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.35 -35.46 77.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.489 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.48 -43.65 98.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.383 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 35.8 mm -63.85 -42.83 97.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.372 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.605 ' O ' HD23 ' A' ' 107' ' ' LEU . 1.6 tt -60.73 -44.11 97.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.119 0.485 . . . . 0.0 110.169 -179.153 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 96.2 mt -62.64 -42.34 95.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.426 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.7 mm -61.51 -42.65 94.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.439 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.07 -43.87 98.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.923 0.392 . . . . 0.0 110.314 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.4 mm -65.21 -43.97 95.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.933 0.397 . . . . 0.0 110.498 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 98.9 t -71.52 -25.36 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.533 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.515 ' O ' HG22 ' A' ' 116' ' ' THR . 91.3 t80 -60.71 -44.69 96.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.631 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -65.67 -38.13 88.44 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.724 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 74.6 m -82.64 -7.66 59.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.813 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 113' ' ' TYR . 13.7 t . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.892 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.2 mtp . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -59.74 -40.94 89.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.604 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.49 111.79 13.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.9 m -118.84 127.73 53.79 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.449 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.86 140.13 58.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.417 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -166.21 101.47 0.63 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.368 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 90.7 m -125.1 131.23 53.33 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.351 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 m -144.39 150.13 46.87 Favored Pre-proline 0 C--O 1.234 0.251 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.656 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.91 167.19 20.31 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 C-N-CA 122.349 2.033 . . . . 0.0 112.359 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -54.12 143.59 62.14 Favored 'Trans proline' 0 N--CA 1.493 1.5 0 C-N-CA 122.334 2.023 . . . . 0.0 112.147 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.59 -38.41 91.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.465 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 58.92 57.31 5.68 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.611 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.81 153.42 68.74 Favored 'Trans proline' 0 C--N 1.31 -1.499 0 C-N-CA 122.811 2.34 . . . . 0.0 112.002 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.8 144.94 32.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.465 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 163.66 124.81 0.73 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' A' ' 18' ' ' GLY . 57.3 mp0 -68.75 -51.34 42.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.781 0.324 . . . . 0.0 110.691 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 42.26 19.82 0.06 OUTLIER Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 16' ' ' GLU . . . 158.18 74.26 0.02 OUTLIER Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.463 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 30.0 Cg_exo -58.63 -174.63 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.532 2.155 . . . . 0.0 112.085 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' A' ' 19' ' ' PRO . 31.2 Cg_exo -60.69 147.4 94.98 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.652 2.234 . . . . 0.0 112.003 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.19 152.42 46.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.784 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.41 160.3 46.22 Favored 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.526 2.151 . . . . 0.0 112.077 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 24' ' ' PRO . 43.6 Cg_endo -70.05 163.25 39.19 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.466 2.111 . . . . 0.0 112.129 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 23' ' ' PRO . 73.4 Cg_exo -42.5 172.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.755 2.303 . . . . 0.0 112.158 179.233 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -62.4 -41.11 98.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.635 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.508 ' H ' HD23 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -84.09 122.48 28.87 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.832 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.2 p -99.14 120.24 39.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.465 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.4 p -64.46 -19.03 65.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.483 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -75.73 156.1 34.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.592 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -70.03 146.52 50.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.609 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -62.72 -35.85 81.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.387 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.438 ' O ' ' O ' ' A' ' 35' ' ' THR . 20.7 mt -61.6 -40.81 96.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.792 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -63.36 -37.56 87.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.557 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -62.28 -57.06 12.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.821 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.438 ' O ' ' O ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -99.22 131.71 45.06 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.164 0.507 . . . . 0.0 110.455 179.65 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -96.43 -18.08 20.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.806 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.39 -15.95 57.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.721 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -64.72 -53.32 49.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.703 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.46 ' O ' HG12 ' A' ' 42' ' ' VAL . 9.1 p -67.57 -37.24 78.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.592 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.424 ' O ' HG12 ' A' ' 43' ' ' VAL . 47.9 t0 -64.97 -22.09 66.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.407 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -55.12 -21.97 14.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.699 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 39' ' ' VAL . 10.1 p -62.05 -22.51 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.489 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.576 HG13 ' N ' ' A' ' 44' ' ' ASP . 9.4 p -58.81 -45.13 91.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.071 0.462 . . . . 0.0 110.536 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.576 ' N ' HG13 ' A' ' 43' ' ' VAL . 99.4 m-20 -57.5 -45.04 85.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.291 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.37 -42.7 97.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.449 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.431 ' SD ' ' C ' ' A' ' 46' ' ' MET . 13.9 tmm? -59.83 -38.77 82.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.602 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 -62.34 -39.35 92.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.513 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.2 t -61.92 -44.4 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.666 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -60.09 -40.31 89.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.944 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.21 -41.42 92.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.71 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.53 -38.26 83.87 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.557 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -66.51 -40.85 89.41 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.951 0.405 . . . . 0.0 110.461 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.9 t -67.45 -43.72 87.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.596 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 tp -80.0 26.2 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.84 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -65.94 -32.5 74.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.583 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 61.96 56.33 2.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.394 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -86.07 -3.86 59.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.573 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -67.73 151.75 46.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.522 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.97 -41.24 99.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.722 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 73.51 24.76 2.21 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.532 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.2 p -168.32 83.87 0.18 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.266 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -167.37 -72.42 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.478 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.437 ' O ' ' OD1' ' A' ' 64' ' ' ASP . 6.1 tt -95.52 122.35 38.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.673 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 63' ' ' LEU . 99.4 m-20 -141.5 147.22 37.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.673 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -83.17 -115.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.529 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 90.6 mtm-85 -64.84 -39.27 93.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.576 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.9 144.18 56.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.48 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 53.5 p30 -171.07 35.83 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.581 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.26 -86.42 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.447 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 70.5 mt -74.22 144.23 44.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.516 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.438 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 53.9 mt-30 -63.45 -38.31 90.64 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.523 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 71' ' ' GLN . . . 66.73 32.11 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.586 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 67.74 32.95 79.1 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 50.8 -146.45 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.691 0.281 . . . . 0.0 110.533 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -69.26 140.93 54.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.477 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -87.88 -8.73 55.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.663 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.415 ' O ' ' OG ' ' A' ' 80' ' ' SER . 87.3 m-85 -64.63 -39.41 93.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.553 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -65.07 -42.7 93.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.562 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 66.3 p -71.47 -33.75 69.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.77 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' A' ' 77' ' ' PHE . 79.0 p -63.28 -29.23 70.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.485 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.96 98.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.504 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.06 82.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.857 0.36 . . . . 0.0 110.573 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -65.5 -37.69 87.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.515 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.8 tp -60.59 -42.9 97.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.495 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.19 -40.68 96.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.231 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -63.13 -43.54 98.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.051 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.549 ' O ' ' N ' ' A' ' 90' ' ' TRP . 98.4 mttt -60.66 -46.09 91.64 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.565 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.605 ' C ' ' H ' ' A' ' 90' ' ' TRP . 65.4 t80 40.09 44.56 1.52 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.652 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 53.1 m95 62.63 -11.4 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.777 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.605 ' H ' ' C ' ' A' ' 88' ' ' TYR . 21.3 t90 -69.34 -48.41 61.49 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.565 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.442 ' NZ ' HD21 ' A' ' 93' ' ' LEU . 63.6 tttm -111.96 125.63 54.26 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.179 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -127.5 131.79 50.07 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.442 HD21 ' NZ ' ' A' ' 91' ' ' LYS . 41.5 mt -83.66 -0.31 50.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.41 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -54.77 -49.74 70.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.105 0.478 . . . . 0.0 110.155 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 37.8 ttm -64.21 -37.12 86.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.388 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 97.4 mmm -63.33 -35.83 81.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.381 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.44 -42.9 97.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.548 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.57 -43.61 98.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.084 0.469 . . . . 0.0 109.944 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.584 HD13 ' O ' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -62.25 -40.3 95.73 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.245 0.545 . . . . 0.0 110.743 -179.033 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -57.52 -33.19 65.99 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.9 t -62.18 -47.02 95.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.323 . . . . 0.0 110.476 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.575 HD12 ' N ' ' A' ' 102' ' ' ILE . 1.7 mp -63.57 -44.77 98.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.242 0.544 . . . . 0.0 110.427 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 97.4 m -64.16 -42.82 96.59 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.576 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.32 -36.59 43.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.629 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.65 -42.37 95.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.538 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.3 mt -60.12 -43.19 92.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.289 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 107' ' ' LEU . 4.2 mm? -63.07 -41.81 99.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.126 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 89.5 mt -60.82 -42.24 91.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.581 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 86.5 mt -56.9 -39.85 67.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.341 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 94.4 mt -60.5 -44.23 96.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.466 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.406 ' N ' HD12 ' A' ' 111' ' ' ILE . 2.1 mp -65.01 -44.48 95.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.272 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 78.0 t -64.81 -39.32 85.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.089 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -53.16 -45.26 68.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.714 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -62.71 -41.23 99.03 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.872 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 78.1 p -71.61 -22.01 61.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.792 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.1 m . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.677 -179.818 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.8 ttp . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t -71.86 143.13 49.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.607 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.31 97.26 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.73 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.5 m -61.58 -45.22 95.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.518 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.7 144.61 57.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.597 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.77 143.02 57.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.439 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.41 ' OG1' ' SD ' ' A' ' 46' ' ' MET . 45.9 p -133.65 159.78 39.48 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.465 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.685 ' O ' HG13 ' A' ' 8' ' ' VAL . 11.8 p -162.53 75.11 2.11 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.285 0.564 . . . . 0.0 110.368 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -56.29 156.79 19.85 Favored 'Trans proline' 0 C--N 1.301 -1.966 0 C-N-CA 122.422 2.082 . . . . 0.0 112.128 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.36 152.22 79.35 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.66 2.24 . . . . 0.0 112.028 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.16 93.74 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.287 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.82 76.26 0.37 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.353 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -58.71 145.67 94.98 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.832 2.355 . . . . 0.0 112.023 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -159.29 157.32 30.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.527 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.07 168.24 43.65 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -148.11 151.54 35.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.833 0.349 . . . . 0.0 110.656 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.09 135.51 2.15 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.457 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 59.07 53.09 49.34 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 18' ' ' GLY . 36.3 Cg_endo -66.59 161.56 40.89 Favored 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.522 2.148 . . . . 0.0 112.045 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.25 143.56 77.75 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.634 2.223 . . . . 0.0 111.925 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.577 ' N ' ' CD ' ' A' ' 22' ' ' PRO . . . -78.48 -45.68 2.03 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.145 179.378 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 55.6 Cg_endo -82.0 161.73 18.26 Favored 'Trans proline' 0 C--N 1.313 -1.294 0 C-N-CA 122.371 2.048 . . . . 0.0 112.145 -178.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.5 163.48 15.18 Favored 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.564 2.176 . . . . 0.0 111.953 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.58 -19.89 53.96 Favored 'Trans proline' 0 C--N 1.308 -1.569 0 C-N-CA 122.769 2.313 . . . . 0.0 111.844 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -83.26 94.12 7.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.449 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.8 tp -174.91 -67.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.459 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.1 t -145.65 165.35 28.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.244 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.3 t -122.6 129.55 52.02 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.37 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -93.3 6.99 46.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.451 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -64.46 -42.55 95.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.627 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -62.63 -39.46 93.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.483 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.14 -32.2 73.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.608 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -53.07 -25.28 12.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.408 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -65.97 -33.69 76.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.572 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.429 HG22 ' H ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -75.34 175.15 8.67 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.997 0.427 . . . . 0.0 110.411 -179.554 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.429 ' H ' HG22 ' A' ' 35' ' ' THR . 87.0 mt-30 -93.19 -13.75 27.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.584 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.48 -41.6 94.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.606 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -74.43 -29.22 61.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.558 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.0 t -62.06 -43.63 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.473 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.46 ' O ' HG12 ' A' ' 43' ' ' VAL . 60.2 t0 -60.81 -34.58 74.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.456 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.31 -33.98 77.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.683 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.504 ' O ' HG12 ' A' ' 42' ' ' VAL . 95.5 t -63.3 -7.82 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.582 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.576 HG13 ' N ' ' A' ' 44' ' ' ASP . 7.2 p -60.34 -46.13 95.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.145 0.498 . . . . 0.0 110.644 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.576 ' N ' HG13 ' A' ' 43' ' ' VAL . 98.6 m-20 -63.43 -43.1 98.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.448 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.6 mm -64.94 -43.38 96.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.641 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.41 ' SD ' ' OG1' ' A' ' 7' ' ' THR . 45.6 ttp -51.81 -43.72 63.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.463 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -61.18 -43.05 99.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.479 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.9 t -66.22 -42.84 91.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.644 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -57.94 -41.18 82.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.078 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.8 t -64.11 -43.47 97.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.056 0.455 . . . . 0.0 110.734 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -63.34 -33.69 76.08 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.745 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -65.06 -34.12 77.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.314 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 56' ' ' ARG . 82.5 t -61.06 -47.13 94.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.48 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.538 HD22 ' N ' ' A' ' 54' ' ' LEU . 4.0 mm? -64.33 -38.13 89.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.691 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -58.65 -46.32 87.42 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.431 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' A' ' 53' ' ' VAL . 82.6 mmt-85 -98.08 137.26 37.14 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.652 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 58' ' ' GLN . 66.5 t0 -169.64 129.72 1.02 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.372 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.437 ' CD ' ' H ' ' A' ' 59' ' ' LYS . 0.5 OUTLIER 40.76 -163.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.979 0.418 . . . . 0.0 110.778 -179.83 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.437 ' H ' ' CD ' ' A' ' 58' ' ' GLN . 52.4 mttp 54.43 17.33 1.55 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.502 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.4 tp -62.96 -42.31 99.79 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.477 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.9 t -174.54 -71.87 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.68 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 64' ' ' ASP . 80.2 tt0 -172.21 -95.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.568 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.63 HD22 ' H ' ' A' ' 63' ' ' LEU . 3.7 mm? 39.59 25.0 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 62' ' ' GLU . 64.5 t0 -137.65 -89.9 0.24 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.65 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.434 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 54.6 p-10 -74.43 146.89 42.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.543 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -80.19 140.02 36.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.348 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -103.29 120.84 41.52 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.338 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.1 p-10 -157.79 22.5 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.578 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -171.96 -156.48 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.281 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.8 tp -138.5 -26.08 0.9 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -171.1 156.12 4.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.498 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -161.31 151.86 17.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.608 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.98 -41.94 97.07 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -101.32 115.65 30.99 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.78 0.324 . . . . 0.0 110.445 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.6 p -159.48 160.94 35.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.635 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.495 ' CD ' ' H ' ' A' ' 76' ' ' GLN . 1.0 OUTLIER -73.79 -15.47 61.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.643 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -63.04 -27.52 69.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -53.72 -20.56 5.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.552 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 45.1 p -71.11 -24.45 62.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.648 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 94.9 p -58.11 -31.58 67.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.444 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.3 -34.02 73.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.493 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.02 -44.89 91.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.662 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -63.61 -38.82 92.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.442 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 48.3 tp -62.72 -42.35 99.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.487 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.1 -38.92 88.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.421 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.4 ' NH2' ' OD1' ' A' ' 92' ' ' ASN . 83.7 mtp180 -62.64 -35.51 79.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.656 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -61.52 -36.8 81.58 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.61 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.44 ' O ' ' O ' ' A' ' 89' ' ' TRP . 91.2 t80 -60.26 -41.59 93.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.39 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.603 ' NE1' ' CE2' ' A' ' 90' ' ' TRP . 17.9 t-105 -55.92 -157.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.449 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.603 ' CE2' ' NE1' ' A' ' 89' ' ' TRP . 27.2 m0 -45.25 -76.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.458 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.446 ' C ' ' H ' ' A' ' 93' ' ' LEU . 8.1 mmtt -176.4 -28.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.651 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.629 ' ND2' ' SD ' ' A' ' 95' ' ' MET . 2.5 t-20 65.64 -3.24 0.73 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.552 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -63.86 -44.24 93.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.224 0.535 . . . . 0.0 110.516 -179.54 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -64.37 -33.96 77.07 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.47 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.629 ' SD ' ' ND2' ' A' ' 92' ' ' ASN . 58.1 mtt -62.27 -34.73 77.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.318 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 97.0 mmm -75.4 -38.34 59.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.05 -46.28 88.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.18 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.426 HG23 ' N ' ' A' ' 99' ' ' LEU . 20.5 tt -65.43 -38.59 82.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.619 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.426 ' N ' HG23 ' A' ' 98' ' ' ILE . 32.8 mt -62.7 -39.79 95.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.729 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.08 -33.62 84.79 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.0 t -63.24 -43.78 98.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.81 0.338 . . . . 0.0 110.524 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.6 mm -62.46 -44.48 99.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.339 0.59 . . . . 0.0 110.449 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.5 ' HA ' HD12 ' A' ' 106' ' ' ILE . 11.1 p -70.44 -32.64 70.3 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.832 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.77 -51.01 71.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.011 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 21.5 pt -64.94 -33.85 66.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 103' ' ' CYS . 82.4 mt -62.69 -42.29 95.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.306 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.4 tp -59.19 -42.94 92.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.564 -178.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 40.5 mm -63.01 -42.74 97.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.527 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.09 -42.98 97.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.332 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.7 mt -62.56 -44.74 99.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.521 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 33.1 mm -65.19 -44.48 95.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.764 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 70.4 t -67.31 -43.06 88.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.161 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.56 ' O ' HG22 ' A' ' 116' ' ' THR . 88.5 t80 -61.81 -40.28 94.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.696 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -63.75 -41.82 97.94 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.642 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.8 t -66.9 -19.03 65.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.932 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 113' ' ' TYR . 10.9 t . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.828 -1.082 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.403 ' C ' ' N ' ' A' ' 3' ' ' ALA . 88.7 mtp . . . . . 0 N--CA 1.492 1.642 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.422 ' O ' ' OG ' ' A' ' 2' ' ' SER . 11.5 t 44.98 22.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.589 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 1' ' ' MET . . . -176.11 9.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.656 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.1 m -123.67 128.13 49.19 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.972 0.415 . . . . 0.0 110.457 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -158.67 152.58 23.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.462 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -160.05 56.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.622 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.7 p -86.71 88.72 7.73 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.539 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 8' ' ' VAL . 8.3 p -71.36 129.63 88.7 Favored Pre-proline 0 N--CA 1.446 -0.652 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.715 -179.444 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -72.97 165.5 32.63 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.443 2.095 . . . . 0.0 112.311 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -51.03 140.62 39.4 Favored 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 122.382 2.054 . . . . 0.0 112.2 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -160.13 96.2 1.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.664 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.604 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 180.0 -44.52 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.406 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 12' ' ' ALA . 28.1 Cg_exo -60.99 144.62 99.62 Favored 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.675 2.25 . . . . 0.0 112.018 -179.311 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.08 150.24 27.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.475 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -97.15 133.81 11.52 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.75 -37.68 82.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.848 0.356 . . . . 0.0 110.586 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.46 -36.85 0.04 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 51.42 72.64 0.48 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.48 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 24.2 Cg_exo -61.9 -174.55 0.14 Allowed 'Trans proline' 0 C--N 1.303 -1.848 0 C-N-CA 122.697 2.265 . . . . 0.0 111.97 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.48 ' CD ' ' CB ' ' A' ' 19' ' ' PRO . 28.0 Cg_exo -60.95 145.08 99.58 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.633 2.222 . . . . 0.0 112.235 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.68 152.75 4.68 Favored Pre-proline 0 N--CA 1.452 -0.367 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.713 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.71 114.01 2.96 Favored 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 122.961 2.44 . . . . 0.0 112.061 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.404 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 50.0 Cg_exo -48.27 -178.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.42 2.08 . . . . 0.0 112.274 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 23' ' ' PRO . 31.1 Cg_exo -61.1 141.61 94.44 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.614 2.209 . . . . 0.0 112.209 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -63.32 -41.69 98.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.686 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.3 tp -165.9 125.7 1.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.475 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.3 p -139.89 -50.37 0.49 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.675 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.8 t -151.95 136.05 16.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.368 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.3 p30 -134.32 11.93 3.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.529 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -139.06 77.09 1.6 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.351 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -91.9 7.49 41.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.673 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.455 ' O ' ' OG1' ' A' ' 35' ' ' THR . 63.7 mt -70.06 -16.0 63.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.591 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -78.91 -45.7 20.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.483 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.45 ' O ' ' O ' ' A' ' 35' ' ' THR . 40.7 tt0 -95.62 19.03 11.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.575 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.565 HG22 ' H ' ' A' ' 36' ' ' GLN . 1.0 OUTLIER -45.99 174.64 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.836 -179.502 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.565 ' H ' HG22 ' A' ' 35' ' ' THR . 88.1 mt-30 -82.53 -12.23 57.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.73 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.88 -49.55 76.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.587 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -65.85 -31.94 73.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.508 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.531 ' O ' HG12 ' A' ' 42' ' ' VAL . 95.2 t -64.31 -43.23 97.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.413 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -61.79 -38.03 86.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.661 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -52.78 -18.63 1.96 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.621 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 39' ' ' VAL . 8.8 p -54.53 -29.27 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.329 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 77.3 t -61.36 -44.75 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.503 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.01 -40.35 95.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.446 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.6 mt -78.87 -30.79 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.986 0.422 . . . . 0.0 110.65 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 47.6 ttp -59.56 -48.41 81.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.857 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -65.9 -39.84 90.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.727 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.2 t -66.36 -43.1 91.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.432 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -57.98 -41.28 82.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.128 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.16 -43.64 98.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.084 0.468 . . . . 0.0 110.753 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -64.34 -33.68 76.41 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.355 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -66.02 -38.9 89.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.351 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.22 -45.65 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.561 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.88 -41.86 99.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.902 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -82.05 97.13 8.0 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.527 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -168.3 30.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.73 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -61.23 -50.82 71.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.519 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -141.87 155.23 45.54 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.89 0.376 . . . . 0.0 110.702 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -87.77 -6.6 58.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.596 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.11 140.04 58.83 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.66 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 t 55.33 83.8 0.08 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.475 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.503 ' C ' ' H ' ' A' ' 64' ' ' ASP . 44.0 tp10 -169.05 76.97 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.516 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 75.9 mt 50.66 9.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.681 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.503 ' H ' ' C ' ' A' ' 62' ' ' GLU . 49.4 t0 -67.88 145.98 54.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.464 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -64.27 -44.4 91.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.614 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.8 ptt-85 -158.69 174.1 15.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.555 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.59 149.97 47.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.558 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.428 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 49.8 p-10 -79.91 -0.74 36.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.565 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 68' ' ' ASP . . . 65.56 26.08 11.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.619 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.637 HD12 ' N ' ' A' ' 70' ' ' LEU . 9.1 mp 42.42 -109.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.539 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' A' ' 73' ' ' GLY . 92.0 mt-30 44.02 -169.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.489 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 44.88 -92.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.654 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 71' ' ' GLN . . . 178.24 -36.39 0.08 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 50.22 -151.79 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.761 0.315 . . . . 0.0 110.554 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.1 t -64.16 143.94 57.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.582 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -157.38 -35.64 0.08 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.488 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -95.01 -12.45 26.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.371 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -69.47 -35.86 76.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.513 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.447 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -64.61 -32.36 73.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.514 -179.685 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.4 m -58.8 -41.99 88.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.622 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.07 -22.78 67.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.713 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 79' ' ' THR . . . -56.18 -35.1 66.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.534 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -59.87 -41.43 91.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.539 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.73 -40.44 97.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.612 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -64.08 -37.02 85.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.697 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -60.66 -34.06 73.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.907 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -52.45 -39.29 60.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.395 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -60.55 -42.3 96.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.702 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -68.09 -48.36 65.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.624 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -64.22 -41.63 96.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -76.58 151.47 36.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.628 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -75.1 152.37 38.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.606 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.562 HD22 ' N ' ' A' ' 93' ' ' LEU . 3.9 mm? -63.16 -40.26 97.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.671 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -52.62 -34.49 51.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.408 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 42.9 tpp -60.22 -39.4 86.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.059 0.457 . . . . 0.0 110.392 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 28.3 ttt -67.85 -38.07 82.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.515 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 36.3 mm -60.89 -50.53 80.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 13.2 tt -67.8 -37.35 78.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.688 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.58 -41.07 98.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.521 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -62.27 -34.54 89.53 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.6 t -61.56 -45.66 98.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.589 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 59.2 mt -61.45 -50.24 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.788 -179.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 104' ' ' ALA . 8.7 p -60.97 -36.33 79.12 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.63 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.466 ' N ' ' SG ' ' A' ' 103' ' ' CYS . . . -59.51 -38.81 81.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.482 -179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.8 -42.73 97.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.456 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 32.6 mm -57.35 -38.52 62.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.27 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.38 -37.35 80.47 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.581 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.599 ' O ' HG23 ' A' ' 112' ' ' VAL . 35.4 mm -61.82 -42.61 95.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 33.3 mm -69.35 -42.83 81.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.602 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.92 -50.85 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.088 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.414 ' HA ' HD12 ' A' ' 111' ' ' ILE . 10.8 tp -66.78 -37.61 79.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -179.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 108' ' ' ILE . 37.5 t -66.08 -39.15 83.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.125 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -56.19 -46.34 79.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.552 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -62.19 -40.52 96.32 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.882 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.2 t -70.93 -33.79 70.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.757 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 C--O 1.219 -0.546 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.656 -179.611 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 m -60.46 139.34 57.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.408 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.7 -37.63 84.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.577 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.1 p -80.21 164.89 22.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.436 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -151.79 149.58 29.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.425 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.45 165.92 17.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.313 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -132.39 131.59 41.98 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.293 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.519 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 12.5 m -151.81 49.78 0.59 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.922 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 8' ' ' VAL . 19.0 Cg_endo -59.23 112.06 1.11 Allowed 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.872 2.381 . . . . 0.0 111.571 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.46 142.76 57.82 Favored 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.008 1.805 . . . . 0.0 112.176 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.81 170.16 16.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.177 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -143.3 73.61 17.68 Favored Pre-proline 0 N--CA 1.463 0.212 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.228 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -59.66 145.29 98.52 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.917 2.411 . . . . 0.0 111.746 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.44 157.27 17.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.214 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.83 162.68 54.79 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.496 ' N ' ' OE1' ' A' ' 16' ' ' GLU . 57.0 mp0 -80.45 148.87 30.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.915 0.388 . . . . 0.0 110.472 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.71 -7.36 74.43 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -46.04 -73.43 0.29 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.32 112.58 1.28 Allowed 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.68 2.253 . . . . 0.0 111.54 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.44 140.97 52.69 Favored 'Trans proline' 0 N--CA 1.498 1.771 0 C-N-CA 122.129 1.886 . . . . 0.0 112.153 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.91 155.68 1.03 Allowed Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.455 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -36.01 100.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.157 0 C-N-CA 122.948 2.432 . . . . 0.0 111.864 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -79.15 165.86 23.37 Favored 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 121.722 1.614 . . . . 0.0 112.361 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -49.3 135.72 31.64 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 122.135 1.89 . . . . 0.0 111.751 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -109.8 129.92 55.58 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.457 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.5 mt -63.97 -38.12 89.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.482 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.8 p -56.87 -39.28 74.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.368 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.5 t -68.3 130.39 42.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.392 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.6 p30 -174.84 60.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.556 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.407 ' C ' ' H ' ' A' ' 32' ' ' LEU . 88.8 mtm180 -79.91 -171.68 3.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.639 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 85.4 mtp180 -78.53 20.92 0.4 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.625 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.407 ' H ' ' C ' ' A' ' 30' ' ' ARG . 2.5 pp -51.54 -34.89 38.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.589 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -56.9 -20.14 21.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.223 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -65.31 -22.37 66.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.754 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.466 HG22 ' H ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -68.44 176.82 2.66 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.095 0.474 . . . . 0.0 110.289 -179.618 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.466 ' H ' HG22 ' A' ' 35' ' ' THR . 2.5 mp0 -74.3 -10.58 59.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.406 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.07 -46.62 61.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.406 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -65.22 -40.03 93.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.465 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.4 t -62.29 -43.99 98.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.287 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -46.64 -20.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.771 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -93.11 -38.36 11.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.39 -43.02 97.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.666 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 44' ' ' ASP . 9.7 p -54.77 -40.21 50.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.341 0.591 . . . . 0.0 110.46 -179.169 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.478 ' N ' HG13 ' A' ' 43' ' ' VAL . 65.6 t0 -58.75 -41.51 86.7 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.267 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.5 mm -64.28 -42.25 94.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.474 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.5 ttm -57.25 -40.0 76.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.61 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.98 -39.13 93.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.832 0.348 . . . . 0.0 110.561 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.9 t -63.68 -43.14 97.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -58.94 -40.05 83.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.232 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.49 -36.84 78.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.771 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -51.82 -25.3 7.47 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.68 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -66.31 -39.28 89.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.25 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.509 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 48.3 t -74.04 -24.06 19.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.855 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.06 -41.73 97.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.585 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.33 92.62 0.2 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.739 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.509 ' NH1' ' O ' ' A' ' 53' ' ' VAL . 86.0 mmt-85 -66.14 -42.22 89.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.651 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -77.59 141.63 39.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.267 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.471 ' NE2' ' O ' ' A' ' 56' ' ' ARG . 4.9 mp0 -109.21 123.69 49.65 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.232 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -97.92 1.3 47.89 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.534 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.565 ' H ' HD12 ' A' ' 60' ' ' LEU . 9.8 mp 41.73 74.5 0.11 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.494 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.5 p -161.7 78.9 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.376 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -172.05 -80.78 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.207 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.6 tp -114.7 120.02 38.69 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.911 0.386 . . . . 0.0 110.615 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -169.1 -27.09 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.534 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.5 p30 -84.66 -2.12 57.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.674 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 67' ' ' ALA . 74.4 ttp85 -132.59 133.26 43.45 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.184 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 66' ' ' ARG . . . 53.24 171.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.679 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 62.3 t0 57.84 39.09 27.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.601 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.438 ' O ' ' O ' ' A' ' 70' ' ' LEU . . . -155.3 156.44 35.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.471 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 70' ' ' LEU . 9.7 mp 54.28 110.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.55 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 53.05 -84.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.315 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . -137.55 -65.19 0.53 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.511 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 69.38 27.07 73.97 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -153.89 165.35 36.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.798 0.332 . . . . 0.0 110.664 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.51 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 12.7 m -149.08 -151.37 0.39 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.629 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 77' ' ' PHE . 40.0 tp60 -62.29 0.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.396 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.51 ' CD2' ' O ' ' A' ' 75' ' ' SER . 76.8 m-85 58.24 119.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.614 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -68.3 -38.44 81.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.812 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.414 ' H ' HG22 ' A' ' 79' ' ' THR . 0.0 OUTLIER -56.38 -41.23 75.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.455 -179.584 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.0 t -60.7 -42.68 97.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.666 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.2 -16.88 64.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.82 -48.8 63.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.474 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -63.35 -41.74 98.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.806 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 52.7 mt -62.5 -41.83 99.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.587 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -62.79 -40.11 96.3 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.578 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -62.72 -37.78 87.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.622 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -61.55 -43.48 98.79 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.713 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -97.23 48.96 1.05 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.547 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -149.78 -73.39 0.17 Allowed 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.618 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -55.8 -36.41 67.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.591 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -61.81 -176.11 0.08 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.403 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -92.93 16.38 12.73 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.829 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 93' ' ' LEU . 10.7 mp -82.48 2.26 33.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -59.22 -39.89 84.14 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.582 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 81.0 mmm -60.87 -38.69 86.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.367 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 66.0 mtt -60.11 -32.59 71.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.617 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 63.7 mt -60.94 -42.36 92.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.352 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.556 HD12 ' N ' ' A' ' 98' ' ' ILE . 1.8 mp -59.56 -42.32 87.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.002 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.2 mp -60.64 -40.98 93.97 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.372 -179.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -62.97 -36.25 93.19 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 73.3 t -62.72 -45.94 97.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.701 0.286 . . . . 0.0 110.684 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 59.7 mt -62.61 -47.69 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.212 0.53 . . . . 0.0 110.497 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 95.3 m -61.82 -36.82 82.28 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.613 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.7 -36.86 79.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.483 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.39 -44.37 97.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.619 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 63.0 mt -61.15 -39.29 81.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.19 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.9 tp -58.51 -37.99 76.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.468 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.559 ' O ' HG23 ' A' ' 112' ' ' VAL . 96.3 mt -61.56 -43.86 97.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 0.0 110.351 -179.063 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 109' ' ' ILE . 3.4 mp -66.93 -43.61 89.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.547 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.32 -52.1 65.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.063 -178.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 10.7 tp -66.81 -37.61 79.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.715 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 108' ' ' ILE . 30.2 t -65.13 -39.51 85.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.003 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -55.35 -46.01 76.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -178.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -61.61 -44.66 96.58 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.525 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.7 t -67.67 -18.39 64.92 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.935 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.8 t . . . . . 0 N--CA 1.468 0.454 0 CA-C-O 118.042 -0.98 . . . . 0.0 111.551 -179.925 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 ptp . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.7 p -154.09 -39.95 0.09 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.546 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.483 ' C ' ' H ' ' A' ' 5' ' ' ALA . . . 42.36 -162.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.724 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.7 p 49.33 11.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.644 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 7' ' ' THR . . . -74.95 144.73 43.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.618 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 60.62 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.718 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 5' ' ' ALA . 43.3 p 52.39 33.71 13.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.608 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.5 t 59.07 72.62 0.79 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.377 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -79.26 164.84 24.06 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.371 2.047 . . . . 0.0 112.428 -179.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -49.74 138.12 33.54 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.266 1.978 . . . . 0.0 112.095 178.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -80.36 -108.23 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.365 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 11' ' ' ALA . . . 174.73 154.38 0.31 Allowed Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.427 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.7 145.81 82.28 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.817 2.345 . . . . 0.0 112.041 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -171.05 -30.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.633 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.91 129.06 9.95 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.485 ' N ' ' CD ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -106.02 -103.16 0.33 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.955 0.407 . . . . 0.0 110.161 -179.864 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 140.15 -14.36 3.04 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.24 -170.35 54.83 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -57.02 158.27 18.03 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.672 2.248 . . . . 0.0 112.014 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.5 154.7 68.4 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.696 2.264 . . . . 0.0 112.034 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.543 ' N ' ' CD ' ' A' ' 22' ' ' PRO . . . 61.45 47.82 1.26 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.24 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 19.7 Cg_endo -57.1 112.81 1.22 Allowed 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.533 2.155 . . . . 0.0 111.503 -179.501 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.526 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 32.1 Cg_exo -49.0 -42.34 38.51 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.336 2.024 . . . . 0.0 112.021 178.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 23' ' ' PRO . 39.3 Cg_exo -60.24 146.77 95.69 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.43 2.087 . . . . 0.0 112.234 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 55.15 89.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.64 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 71.2 mt -74.0 149.41 41.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.293 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.5 t -137.17 150.03 47.66 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.446 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.464 ' C ' ' H ' ' A' ' 30' ' ' ARG . 8.0 p -80.83 171.67 14.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.62 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -73.29 39.19 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.476 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.464 ' H ' ' C ' ' A' ' 28' ' ' SER . 74.1 ttp85 -85.65 -70.17 0.61 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.761 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -68.27 -42.99 78.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.082 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.498 ' H ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -81.68 17.55 1.44 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.112 -179.491 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -58.32 -11.07 2.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.385 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 35' ' ' THR . 65.9 tt0 -65.41 -32.44 74.08 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.606 HG23 ' H ' ' A' ' 37' ' ' ALA . 6.2 t 33.78 -152.15 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.847 0.356 . . . . 0.0 110.986 -179.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.528 ' N ' ' OG1' ' A' ' 35' ' ' THR . 99.0 mm-40 -96.45 -16.9 20.93 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.764 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.606 ' H ' HG23 ' A' ' 35' ' ' THR . . . -53.11 -48.7 67.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.605 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -66.05 -39.15 89.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.454 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.1 t -62.88 -44.08 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.567 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -54.13 -38.19 65.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.383 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -67.31 -35.42 79.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.523 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.2 t -65.92 -27.12 40.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.529 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.4 t -63.35 -45.91 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.468 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -63.11 -42.29 99.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.623 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.45 -43.4 98.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.48 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 75.6 mmm -64.3 -40.6 96.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.665 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -60.69 -43.12 98.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.53 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.41 -43.03 98.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.53 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -58.87 -41.09 86.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.269 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.7 t -65.01 -42.19 94.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.623 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 51' ' ' ASP . 66.7 t0 -61.4 -34.79 75.95 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.619 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.29 -35.66 81.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.436 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 85.6 t -63.56 -43.4 98.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.399 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.32 -33.94 74.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.514 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 57.22 65.84 1.29 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.508 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -128.63 130.93 47.96 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.983 0.421 . . . . 0.0 110.388 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 31.4 p-10 -87.31 113.67 23.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.394 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -151.86 99.47 2.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.541 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -152.2 -56.67 0.14 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.6 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 60' ' ' LEU . 10.3 mp -62.5 -41.79 99.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.371 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.7 t 51.29 9.5 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.684 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' A' ' 60' ' ' LEU . 72.4 mm-40 53.45 30.4 10.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.423 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 tp -163.11 24.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.676 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -61.64 -46.47 89.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.555 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.8 p-10 -160.2 175.19 13.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.623 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -73.06 142.17 47.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.405 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -131.24 120.31 23.05 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.672 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 69' ' ' ALA . 38.2 p-10 -74.34 -40.9 61.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.859 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.517 ' N ' ' OD1' ' A' ' 68' ' ' ASP . . . -171.48 110.68 0.31 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.377 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.425 ' H ' HD23 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -91.28 125.43 36.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.195 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -63.72 -39.32 94.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.533 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -164.41 -132.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.52 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 74' ' ' ALA . . . -63.04 -39.15 97.7 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 73' ' ' GLY . . . 59.95 120.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.757 0.313 . . . . 0.0 110.515 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.6 t -172.48 31.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.679 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -66.5 -28.22 68.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.55 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -65.22 -38.5 90.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.544 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.29 -38.47 90.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.507 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 68.8 p -64.45 -38.95 92.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.612 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.4 t -61.94 -43.31 99.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.555 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.37 -35.82 81.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.628 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.7 -35.61 76.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.677 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -59.93 -46.03 90.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.434 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.531 HD22 ' N ' ' A' ' 84' ' ' LEU . 4.0 mm? -63.55 -41.29 98.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.459 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.06 -37.46 87.27 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.559 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.2 tpt85 -60.32 -46.9 88.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.76 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -64.9 -42.76 94.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.679 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -60.91 -48.92 79.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.527 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 77.6 t-105 -67.49 -47.72 69.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.567 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.436 ' O ' ' O ' ' A' ' 91' ' ' LYS . 30.9 t90 -70.37 -74.46 0.14 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.581 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 90' ' ' TRP . 17.8 tptm 58.84 122.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.599 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -81.29 151.96 27.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.674 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 54.5 mt -63.96 -39.59 94.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.565 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.1 -42.6 95.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.661 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 58.2 mtt -64.46 -38.71 91.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.511 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 92.5 mtp -63.27 -40.88 98.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.484 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.91 -43.97 97.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.403 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.25 -42.78 97.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.339 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.596 ' O ' HD23 ' A' ' 99' ' ' LEU . 1.3 tt -61.62 -41.8 97.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.219 0.533 . . . . 0.0 110.143 -178.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -56.77 -37.37 76.96 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 80.3 t -61.9 -44.42 98.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.768 0.318 . . . . 0.0 110.509 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.9 mm -64.03 -43.77 97.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.482 0.658 . . . . 0.0 110.418 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 89.8 m -63.63 -36.36 83.56 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.485 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.82 -36.34 78.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.535 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.26 -42.36 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.497 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.4 mm -57.13 -39.08 64.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.27 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.38 -41.69 94.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.416 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.5 mm -64.38 -43.32 97.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.903 0.382 . . . . 0.0 110.39 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.66 -43.71 98.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.44 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.52 -43.31 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.449 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.8 mm -63.61 -44.08 98.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.623 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 78.8 t -66.96 -44.41 88.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.155 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -63.79 -39.25 93.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.787 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -60.14 -45.09 94.2 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.672 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.3 t -70.85 -36.21 72.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.604 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.2 m . . . . . 0 C--N 1.323 -0.577 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.681 -179.71 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.5 mtm . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 m -78.62 -7.0 57.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.489 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.76 141.35 58.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.466 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 57.3 p -101.6 2.1 38.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.571 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 61.28 -175.99 0.12 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.479 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -159.25 -165.26 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.488 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 t -148.45 148.56 30.43 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.504 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.707 ' O ' HG22 ' A' ' 8' ' ' VAL . 7.6 p -172.18 47.02 0.07 OUTLIER Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 121.543 0.687 . . . . 0.0 110.635 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 8' ' ' VAL . 25.0 Cg_endo -60.78 166.94 9.32 Favored 'Trans proline' 0 C--N 1.296 -2.21 0 C-N-CA 122.534 2.156 . . . . 0.0 112.387 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -50.97 140.28 39.66 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 122.543 2.162 . . . . 0.0 112.279 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.43 168.7 18.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.468 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.69 74.17 7.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.136 0.494 . . . . 0.0 110.482 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -60.26 146.28 96.78 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.889 2.393 . . . . 0.0 111.918 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -128.09 20.48 6.38 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.547 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.8 -34.42 89.89 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -61.68 138.64 58.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.353 . . . . 0.0 110.535 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.31 -25.09 0.02 OUTLIER Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.442 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -47.85 -53.84 12.97 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 18' ' ' GLY . 46.7 Cg_exo -52.79 155.61 10.48 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.588 2.192 . . . . 0.0 112.058 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.3 147.42 83.18 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.761 2.307 . . . . 0.0 112.128 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.3 152.79 3.99 Favored Pre-proline 0 N--CA 1.45 -0.468 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.712 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -64.34 113.29 2.19 Favored 'Trans proline' 0 C--N 1.314 -1.276 0 C-N-CA 122.866 2.378 . . . . 0.0 111.66 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.544 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 42.3 Cg_exo -48.15 -43.77 30.25 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 122.63 2.22 . . . . 0.0 112.165 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 23' ' ' PRO . 34.9 Cg_exo -59.45 144.43 99.41 Favored 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 122.524 2.149 . . . . 0.0 111.975 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.441 ' OD1' ' O ' ' A' ' 25' ' ' ASN . 31.4 p30 -146.86 126.32 13.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.538 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.2 tp -110.81 126.09 54.26 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.538 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.8 p -136.23 156.9 48.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.479 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.3 p -136.85 -38.46 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.586 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -95.02 132.8 39.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.31 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -134.1 113.87 12.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.494 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 90.9 mtm180 -87.32 -10.76 51.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.692 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.4 mt -62.2 -26.93 68.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.538 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -53.29 -40.32 64.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.649 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -66.15 -34.27 77.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.754 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.7 m -62.55 -47.06 85.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -80.75 -15.37 56.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.585 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.3 -43.51 92.61 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.633 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -64.92 -39.67 93.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.377 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.15 -43.02 92.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.404 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.474 ' O ' HG12 ' A' ' 43' ' ' VAL . 98.3 m-20 -65.04 -19.8 66.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.469 -179.584 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 -64.76 -31.35 72.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.467 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.403 HG12 ' O ' ' A' ' 42' ' ' VAL . 59.4 t -62.74 -15.51 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.569 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.547 HG13 ' N ' ' A' ' 44' ' ' ASP . 7.3 p -58.03 -44.35 86.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 -179.524 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.547 ' N ' HG13 ' A' ' 43' ' ' VAL . 48.7 t0 -54.11 -41.28 68.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.283 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 35.7 mm -63.51 -42.38 95.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.607 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 56.3 ttp -66.49 -36.4 82.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.604 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.16 -48.15 82.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.3 m -70.53 -27.21 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.884 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -63.04 -36.88 85.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.453 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.6 t -62.64 -39.01 83.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.329 0.585 . . . . 0.0 110.571 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -71.16 -35.5 71.68 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.895 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -65.8 -46.82 77.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.6 p -71.58 -27.52 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.753 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 63.3 tp -61.99 -43.65 98.4 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.795 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -172.86 136.81 0.71 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.618 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -64.58 -43.5 93.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.97 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -72.48 143.91 48.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.393 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -65.18 -17.04 64.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.634 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 76.3 tttt 61.53 40.28 13.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.66 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.3 tp -63.41 -42.46 98.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.611 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.499 ' C ' ' H ' ' A' ' 63' ' ' LEU . 1.2 t 171.66 -83.55 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.574 -179.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 69.11 -40.72 0.46 Allowed 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.396 0.435 . . . . 0.0 110.576 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.499 ' H ' ' C ' ' A' ' 61' ' ' SER . 58.9 tp -62.64 -43.94 97.54 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.596 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -82.33 117.94 22.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.243 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -90.43 -137.2 0.13 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.319 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -61.0 -43.59 98.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.483 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 61.12 123.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.652 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.3 p30 -87.66 6.63 33.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.581 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 54.46 -109.58 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.624 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 39.4 tp 52.8 94.63 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.743 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -62.76 -35.16 78.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.677 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.19 141.87 58.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.485 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 165.0 -92.57 0.11 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -159.27 153.58 23.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.338 . . . . 0.0 110.595 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.511 ' C ' ' H ' ' A' ' 77' ' ' PHE . 5.6 t -60.34 -44.56 95.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.586 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.539 ' C ' ' H ' ' A' ' 78' ' ' GLU . 41.6 tt0 58.76 1.2 0.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.396 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.511 ' H ' ' C ' ' A' ' 75' ' ' SER . 74.0 m-85 58.25 -0.3 0.11 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.762 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.539 ' H ' ' C ' ' A' ' 76' ' ' GLN . 51.5 tp10 -67.73 -31.87 72.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.488 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.43 ' H ' HG22 ' A' ' 79' ' ' THR . 0.0 OUTLIER -63.28 -33.59 75.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.431 -179.376 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 93.6 p -58.64 -37.52 76.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.66 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.31 -27.63 69.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.617 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.05 -38.52 86.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.523 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -62.78 -42.32 99.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.566 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.563 ' N ' HD12 ' A' ' 84' ' ' LEU . 9.7 mp -65.95 -37.58 86.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.335 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -59.88 -32.23 70.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.518 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -44.33 -60.3 1.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.533 ' O ' ' N ' ' A' ' 89' ' ' TRP . 67.9 mttm -85.96 -44.32 12.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.763 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.455 ' O ' ' O ' ' A' ' 91' ' ' LYS . 69.2 t80 61.84 -67.02 0.07 Allowed 'General case' 0 C--O 1.231 0.107 0 O-C-N 123.43 0.456 . . . . 0.0 110.47 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.533 ' N ' ' O ' ' A' ' 87' ' ' LYS . 29.6 t90 -57.14 -51.09 70.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.389 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 26.7 t-105 -69.94 -52.25 26.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.682 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 88' ' ' TYR . 68.7 mttm -102.51 130.25 49.28 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.362 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.405 HD22 ' HB2' ' A' ' 94' ' ' LYS . 64.7 t30 -156.47 162.47 39.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.447 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 93' ' ' LEU . 10.0 mp -83.68 0.52 46.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.477 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.405 ' HB2' HD22 ' A' ' 92' ' ' ASN . 66.6 tttm -61.24 -37.1 81.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.557 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 98.2 mtp -63.49 -36.25 83.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.595 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.0 mmt -62.01 -39.32 91.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.416 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 36.7 mm -63.08 -43.9 99.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.511 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.85 -43.54 98.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.393 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.7 mt -61.71 -39.2 90.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.679 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.27 -34.96 90.09 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.485 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 72.0 t -61.51 -45.42 98.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.724 0.297 . . . . 0.0 110.496 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.406 ' O ' ' CG1' ' A' ' 105' ' ' ILE . 64.5 mt -60.56 -50.29 80.98 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.586 0 CA-C-O 121.269 0.557 . . . . 0.0 110.541 -179.324 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 13.2 p -64.98 -25.29 67.8 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.14 0.495 . . . . 0.0 110.593 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -54.75 -52.92 61.03 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.068 -178.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.406 ' CG1' ' O ' ' A' ' 102' ' ' ILE . 6.2 pt -62.64 -39.28 84.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.903 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.91 -41.91 77.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.2 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 80.2 mt -59.42 -38.86 81.72 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.272 -178.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.8 mm -59.96 -42.8 90.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.681 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.6 mm -62.93 -42.92 98.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.662 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 95.0 mt -62.44 -43.75 98.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.434 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.438 HD13 ' HA ' ' A' ' 111' ' ' ILE . 32.6 mm -64.36 -44.16 97.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.797 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 69.7 t -66.41 -42.95 91.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.224 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -60.11 -41.09 91.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.846 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -59.03 -42.58 90.55 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.541 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 83.8 p -79.64 -8.32 59.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.823 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 16.3 m . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.669 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.771 0.319 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 36.0 m -68.06 -24.97 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.564 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -61.66 -42.47 98.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.595 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -67.99 -31.6 71.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.434 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.4 t -64.53 -25.47 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.57 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.3 t -62.5 -44.92 99.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.356 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -62.36 -43.15 99.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.464 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.15 -43.81 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.53 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.452 ' SD ' ' C ' ' A' ' 46' ' ' MET . 18.8 tmm? -61.85 -40.84 96.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.458 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -60.38 -42.94 96.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.562 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.432 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 88.3 t -63.29 -43.77 98.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.738 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -57.03 -37.56 71.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.351 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.05 -44.66 99.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.032 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 48' ' ' VAL . 1.9 p30 -87.27 -8.69 56.49 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 48' ' ' VAL . 63.4 tttp . . . . . 0 N--CA 1.454 -0.26 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.623 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.2 p . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.798 0.332 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.7 t -61.27 -43.76 98.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.648 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.19 -28.03 68.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.697 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.67 -38.18 86.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.587 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -63.4 -43.4 97.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.491 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.524 ' N ' HD12 ' A' ' 84' ' ' LEU . 10.5 mp -63.3 -42.8 99.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.45 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -64.95 -35.99 82.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.642 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.685 -179.486 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 CA--C 1.522 -0.126 0 CA-C-O 120.814 0.34 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -61.24 -38.72 87.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.533 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 87.9 mmm -63.49 -35.79 81.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.444 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 15.9 tpp -75.37 -40.49 58.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.729 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.65 -46.3 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.87 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 99' ' ' LEU . 21.0 tt -70.05 -37.95 73.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.518 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.436 ' N ' HG23 ' A' ' 98' ' ' ILE . 48.6 tp -61.55 -41.81 97.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.512 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.91 -36.78 93.32 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.56 -46.72 95.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.721 0.296 . . . . 0.0 110.532 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 59.1 mt -62.1 -48.23 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.182 0.515 . . . . 0.0 110.668 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 80.6 m -61.81 -36.31 80.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.609 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.68 -37.59 79.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.511 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.98 -43.32 97.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.465 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.53 -42.64 96.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.417 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.7 -41.65 97.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.547 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.36 -43.3 98.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.383 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.87 -43.6 99.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.7 -43.64 98.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.407 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.9 mm -63.66 -44.22 98.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.682 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.504 ' O ' ' N ' ' A' ' 116' ' ' THR . 69.8 t -67.29 -43.78 87.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.192 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -61.09 -44.86 96.72 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.811 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -60.46 -44.93 95.35 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.765 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 80.3 p -85.29 -13.56 49.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.8 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 112' ' ' VAL . 9.6 m . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.824 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.879 0.371 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.512 HG13 ' N ' ' A' ' 40' ' ' ASP . 13.6 p -61.92 -41.9 92.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.423 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.512 ' N ' HG13 ' A' ' 39' ' ' VAL . 97.7 m-20 -63.85 -35.91 82.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.581 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -61.56 -40.31 94.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.391 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.8 t -63.25 -43.28 98.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.375 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.8 t -60.39 -44.2 95.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.249 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -59.78 -43.13 94.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.503 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.83 -43.36 97.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.978 0.418 . . . . 0.0 110.474 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 99.4 mtp -67.59 -36.23 80.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.652 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -59.88 -47.92 83.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.998 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.02 -26.54 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.76 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -62.06 -39.7 93.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.484 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.1 t -63.52 -42.71 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.615 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -75.64 -20.68 58.32 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.733 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.1 tttp . . . . . 0 C--N 1.331 -0.214 0 CA-C-O 120.94 0.4 . . . . 0.0 110.55 -179.916 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.9 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.655 0.264 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.4 t -61.67 -44.03 97.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.6 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.65 -34.17 77.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.749 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.86 -36.32 72.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.562 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -61.42 -42.78 99.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.41 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.549 ' N ' HD12 ' A' ' 84' ' ' LEU . 10.5 mp -62.81 -41.83 99.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.921 0.391 . . . . 0.0 110.264 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.18 -41.9 98.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.673 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 . . . . . 0 C--N 1.322 -0.59 0 CA-C-O 121.0 0.429 . . . . 0.0 110.925 -179.767 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 56.3 mt . . . . . 0 CA--C 1.524 -0.046 0 CA-C-O 120.825 0.345 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.77 -41.27 86.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.412 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 64.8 mtt -63.73 -37.97 89.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.476 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 27.1 ttt -60.57 -41.64 95.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.49 -44.09 98.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.362 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.84 -42.89 97.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.418 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.21 -42.03 94.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.485 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -60.65 -37.26 93.18 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 73.5 t -62.14 -46.83 95.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.829 0.347 . . . . 0.0 110.582 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 56.2 mt -63.26 -48.18 88.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.235 0.54 . . . . 0.0 110.56 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 90.3 m -61.39 -36.16 79.51 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.578 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.55 -36.06 77.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.563 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.85 -43.2 97.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.622 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.84 -41.86 92.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.45 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.6 -37.98 76.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.529 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 94.9 mt -60.67 -41.91 89.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.867 0.365 . . . . 0.0 110.512 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 33.6 mm -56.42 -40.76 69.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.012 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 34.7 mm -61.83 -44.11 98.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.412 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 45.6 mm -62.9 -48.26 88.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 116' ' ' THR . 89.7 t -66.3 -43.73 91.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.266 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -60.37 -42.97 96.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.843 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -59.22 -44.37 92.3 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.735 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.3 m -85.36 -14.77 45.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.778 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 112' ' ' VAL . 11.6 m . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.999 -1.001 . . . . 0.0 111.026 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.684 0.278 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.9 m -81.49 -12.73 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.631 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -63.33 -37.95 89.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.547 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.58 -36.53 84.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.517 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.7 t -65.59 -42.49 93.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.567 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 77.5 t -60.47 -44.85 97.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.284 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -60.86 -44.18 97.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.573 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.94 -43.46 97.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-O 121.059 0.457 . . . . 0.0 110.372 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 49.0 ttp -65.24 -38.38 90.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.684 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.403 ' NH1' ' OD2' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -58.16 -47.71 82.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.057 -179.164 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.7 p -73.39 -26.27 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.747 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -61.97 -35.66 79.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.272 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.0 t -64.1 -42.4 95.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.403 ' OD2' ' NH1' ' A' ' 47' ' ' ARG . 90.1 m-20 -65.59 -12.72 55.61 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.904 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.5 tttt . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.344 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.8 p . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.839 0.352 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.7 m -62.03 -38.14 87.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.692 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.21 89.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.647 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.71 -41.53 81.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.384 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -63.03 -42.71 99.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.462 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.97 -42.08 97.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.707 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -59.78 -34.26 72.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.607 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.654 -179.78 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 93' ' ' LEU . 10.7 mp . . . . . 0 CA--C 1.528 0.123 0 CA-C-O 120.79 0.328 . . . . 0.0 110.444 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -59.01 -40.13 83.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.523 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 36.7 ttm -61.69 -41.05 97.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.48 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 66.2 mtt -63.68 -41.29 98.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.533 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.27 -43.86 97.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.468 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.62 -43.18 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.21 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 53.8 tp -61.59 -41.92 98.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.53 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -59.01 -41.71 96.57 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.434 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 72.8 t -63.45 -46.91 93.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.798 0.332 . . . . 0.0 110.591 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 72.8 mt -62.21 -45.36 98.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.299 0.571 . . . . 0.0 110.381 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 68.7 m -57.28 -31.6 65.78 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.27 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -59.6 -39.27 83.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.54 ' N ' HD12 ' A' ' 105' ' ' ILE . 1.8 mp -63.87 -45.42 97.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.521 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.54 -42.18 94.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.426 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 5.4 tt -56.3 -39.02 72.05 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.914 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 94.4 mt -61.06 -41.71 90.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.391 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 31.8 mm -53.93 -37.53 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.512 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.11 -45.2 99.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.433 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.524 ' N ' HD12 ' A' ' 111' ' ' ILE . 1.4 mp -66.26 -44.54 91.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.825 0.345 . . . . 0.0 110.334 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 91.0 t -66.05 -43.53 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.2 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.576 ' O ' HG22 ' A' ' 116' ' ' THR . 92.1 t80 -60.44 -43.32 96.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.715 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -63.07 -42.87 99.76 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.779 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.3 m -73.47 -15.09 61.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.012 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 113' ' ' TYR . 8.6 t . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.899 -1.048 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.863 0.363 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.03 -22.42 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.649 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -62.62 -32.23 73.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.501 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -78.48 -34.39 47.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.697 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.0 t -61.92 -46.86 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.403 ' H ' HG22 ' A' ' 43' ' ' VAL . 10.7 m -59.61 -41.71 85.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.459 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -62.13 -42.59 99.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.379 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.89 -43.23 97.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.655 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 48.1 ttp -64.16 -39.31 93.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.417 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -58.24 -43.89 88.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.601 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 80.4 t -61.73 -43.94 97.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.543 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -60.32 -40.7 91.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.163 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.91 -42.35 88.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.162 0.506 . . . . 0.0 110.665 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -68.41 -20.95 64.69 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.486 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.2 tttm . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.657 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.1 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.926 0.393 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 95.1 p -59.99 -34.34 73.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.569 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.31 -36.1 82.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.614 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.68 -35.76 77.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.582 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -59.14 -45.75 90.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.596 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.534 ' N ' HD12 ' A' ' 84' ' ' LEU . 10.6 mp -63.02 -41.83 99.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.551 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.39 -40.36 97.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.38 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.764 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 48.7 tp . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -59.58 -34.11 72.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.347 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 97.5 mmm -61.97 -32.42 72.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.45 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 60.7 mtt -65.92 -41.32 91.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.676 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.55 HD12 ' N ' ' A' ' 97' ' ' ILE . 1.8 mp -60.52 -52.28 63.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.763 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.459 HG23 ' N ' ' A' ' 99' ' ' LEU . 13.9 tt -69.34 -40.67 80.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.388 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.459 ' N ' HG23 ' A' ' 98' ' ' ILE . 57.5 tp -62.68 -41.56 99.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.504 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -60.13 -40.38 97.1 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.58 -47.29 93.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.334 . . . . 0.0 110.661 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 60.9 mt -62.36 -49.12 85.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.144 0.497 . . . . 0.0 110.777 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.578 ' SG ' ' N ' ' A' ' 104' ' ' ALA . 6.1 p -60.37 -42.61 96.17 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.691 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.578 ' N ' ' SG ' ' A' ' 103' ' ' CYS . . . -53.12 -37.31 61.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.52 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.17 -42.79 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.425 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.05 -41.49 89.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.404 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.5 mp -59.37 -37.86 79.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.704 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 92.8 mt -61.62 -43.22 96.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.121 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.8 mm -63.54 -43.44 98.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.472 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.1 -43.45 98.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.254 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.44 -44.01 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.696 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.32 -43.43 87.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.336 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -60.45 -42.59 96.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.769 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -59.16 -44.57 92.13 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.579 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.7 t -62.77 -42.24 99.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.594 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--N 1.326 -0.43 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.847 -179.946 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.852 0.358 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.502 ' O ' HG12 ' A' ' 42' ' ' VAL . 29.4 m -69.61 -26.01 29.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.718 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 40' ' ' ASP . 66.8 t0 -63.38 -33.82 76.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.629 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -51.57 -19.9 1.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.617 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.502 HG12 ' O ' ' A' ' 39' ' ' VAL . 9.9 p -57.46 -27.59 29.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.477 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.581 HG13 ' N ' ' A' ' 44' ' ' ASP . 7.4 p -60.26 -45.12 96.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.098 0.475 . . . . 0.0 110.638 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.581 ' N ' HG13 ' A' ' 43' ' ' VAL . 48.8 t0 -61.97 -36.35 81.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.4 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.6 mm -62.37 -43.28 97.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.595 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 83.9 mmm -61.76 -39.25 90.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.798 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -61.01 -41.07 95.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.556 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.96 -42.68 96.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -59.35 -40.31 85.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.292 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.0 t -63.83 -39.78 86.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.719 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.85 -38.6 82.59 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.71 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--N 1.327 -0.39 0 CA-C-O 120.945 0.403 . . . . 0.0 110.434 179.565 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 31.1 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.71 0.29 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.4 t -60.98 -43.74 98.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.554 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.82 -37.5 87.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.759 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.78 -32.64 70.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.358 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -61.56 -45.07 95.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.556 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 84' ' ' LEU . 10.4 mp -63.02 -42.28 99.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.395 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -62.54 -43.67 98.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.725 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.541 -179.925 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.8 mt . . . . . 0 CA--C 1.523 -0.063 0 CA-C-O 120.668 0.27 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -62.0 -40.34 95.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.569 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 4.0 mmt -63.33 -36.13 82.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.451 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 37.8 tpp -59.48 -39.18 82.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.3 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 35.4 mm -62.52 -43.58 98.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.409 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 35.4 mm -63.63 -43.68 98.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.444 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.34 -39.6 91.17 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.644 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -59.88 -33.19 77.4 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.415 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 91.4 t -61.91 -47.64 92.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.92 0.391 . . . . 0.0 110.622 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.549 ' N ' HD12 ' A' ' 102' ' ' ILE . 1.5 mp -62.67 -45.59 98.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.439 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.8 p -60.68 -30.88 70.2 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.579 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -55.27 -46.34 76.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.434 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.579 ' N ' HD12 ' A' ' 105' ' ' ILE . 1.7 mp -63.02 -43.84 99.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.4 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 27.3 mm -58.16 -30.86 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.26 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 86.8 mt -83.13 -44.37 15.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.807 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.14 -44.05 97.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.756 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.471 HG23 ' N ' ' A' ' 110' ' ' ILE . 20.6 tt -63.18 -39.68 86.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.59 -179.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.471 ' N ' HG23 ' A' ' 109' ' ' ILE . 3.9 mm -62.73 -44.35 99.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.463 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.9 mm -65.49 -43.83 94.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.479 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 92.2 t -70.79 -26.0 27.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.597 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.08 -44.92 94.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.794 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -62.81 -36.96 84.89 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.748 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.9 t -71.07 -20.51 62.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.714 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.628 -179.833 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.791 0.329 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.9 t -63.71 -45.19 98.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.49 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -64.93 -35.37 80.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -57.7 -33.95 68.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.415 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.3 t -63.9 -43.24 97.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.523 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 92.1 t -60.03 -43.5 92.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.329 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.37 -41.82 97.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.502 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.9 -44.05 97.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.548 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 95.9 mmm -65.7 -38.13 88.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.685 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -60.49 -43.09 97.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.401 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.15 -43.74 98.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.454 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 27.5 t-20 -59.18 -40.56 86.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.182 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 78.8 t -66.08 -41.94 90.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.8 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.54 -9.15 1.49 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.818 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 49' ' ' ASN . 30.4 mmtp . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.366 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.417 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 31.3 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.782 0.325 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.0 m -60.91 -42.51 98.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.649 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.97 -25.89 68.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.667 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 79' ' ' THR . . . -60.54 -35.44 76.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.389 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -61.0 -47.09 88.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.425 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 56.0 mt -64.04 -40.19 95.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.469 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -63.96 -36.8 85.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.779 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.859 -179.455 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.7 tp . . . . . 0 N--CA 1.46 0.033 0 CA-C-O 120.749 0.309 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -47.69 -26.55 1.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.782 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 96.9 mmm -63.34 -41.9 98.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -64.3 -41.39 96.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.53 -44.11 98.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.439 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.9 mm -63.57 -42.95 97.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.324 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.28 -41.36 96.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.427 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.3 -36.15 92.02 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 73.9 t -62.2 -46.48 96.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.764 0.316 . . . . 0.0 110.566 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 59.7 mt -62.7 -48.65 87.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.129 0.49 . . . . 0.0 110.7 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 98.8 m -62.54 -35.83 80.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.678 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.52 -36.64 78.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.528 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.55 -42.56 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.615 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.1 mm -59.23 -38.96 77.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.057 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.3 tp -58.17 -42.44 86.02 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.46 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.9 mm -63.64 -43.85 98.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.803 0.335 . . . . 0.0 110.402 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.41 -43.66 98.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.324 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.09 -43.41 98.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.397 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.9 mm -63.82 -44.14 98.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.484 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 70.1 t -67.41 -43.15 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.325 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -59.62 -44.75 93.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.749 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -60.67 -45.48 93.96 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.694 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 116' ' ' THR . 86.6 p -79.67 -8.81 59.45 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.846 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 115' ' ' SER . 4.3 t . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.899 -1.048 . . . . 0.0 111.586 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 . . . . . 0 N--CA 1.461 0.1 0 CA-C-O 120.896 0.379 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.1 p -67.06 -25.87 35.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.56 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -63.16 -35.97 82.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.668 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -57.01 -24.25 52.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.647 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.0 t -61.05 -22.18 26.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.512 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.68 -43.65 97.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.555 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -57.84 -42.43 84.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.3 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.67 HD12 ' N ' ' A' ' 45' ' ' ILE . 1.9 mp -63.32 -43.39 98.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.535 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 83.7 mtp -61.42 -39.58 91.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.422 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.65 -39.55 94.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.599 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.9 t -64.05 -40.47 89.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.505 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.453 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 47.7 t-20 -56.55 -39.96 74.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.426 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 84.7 t -64.61 -39.16 84.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.15 0.5 . . . . 0.0 110.591 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -61.7 -9.29 5.98 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.886 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 49' ' ' ASN . 30.0 mmtp . . . . . 0 C--N 1.327 -0.403 0 CA-C-O 121.011 0.434 . . . . 0.0 110.436 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.6 p . . . . . 0 CA--C 1.527 0.083 0 CA-C-O 120.823 0.344 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.5 m -61.96 -43.45 98.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.703 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.42 -36.62 84.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.739 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.55 -36.71 69.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.403 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -62.03 -48.27 81.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.866 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.55 ' N ' HD12 ' A' ' 84' ' ' LEU . 10.5 mp -66.39 -39.5 89.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.278 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -60.92 -29.52 69.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.583 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.756 -179.617 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.52 ' N ' HD12 ' A' ' 93' ' ' LEU . 11.0 mp . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.824 0.345 . . . . 0.0 110.471 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -57.25 -41.88 80.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.512 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 70.0 mtm -64.74 -40.0 94.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.566 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 91.2 mtp -63.82 -41.41 97.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.506 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.77 -43.63 98.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.401 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.19 -42.27 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.215 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 48.5 tp -59.31 -40.45 86.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.462 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -60.92 -33.47 83.7 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.92 -43.92 96.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.826 0.346 . . . . 0.0 110.736 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 15.2 mm -63.64 -44.86 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.476 0.655 . . . . 0.0 110.662 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.576 ' SG ' ' N ' ' A' ' 104' ' ' ALA . 8.5 p -63.35 -44.06 95.93 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.554 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.576 ' N ' ' SG ' ' A' ' 103' ' ' CYS . . . -53.05 -36.27 60.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.705 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.11 -42.02 94.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.216 0.531 . . . . 0.0 110.271 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.46 -41.93 94.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.14 -47.9 83.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.729 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 22.1 pt -65.17 -38.63 83.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.338 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 74.5 mt -63.13 -43.59 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.481 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.22 -42.9 98.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.332 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.39 -44.24 99.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.495 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.53 -43.05 87.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.204 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -60.28 -41.45 93.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.791 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -59.9 -44.48 94.23 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.72 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.3 m -69.02 -34.31 75.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.566 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.6 m . . . . . 0 C--N 1.323 -0.576 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.687 -179.829 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.862 0.363 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 86.1 t -63.8 -25.68 38.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.489 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -82.32 -20.66 36.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.484 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -71.12 -40.54 71.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.047 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.435 HG22 ' H ' ' A' ' 42' ' ' VAL . 11.0 m -65.85 -20.34 27.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-O 120.828 0.347 . . . . 0.0 110.818 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.2 t -62.12 -43.1 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.415 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -60.36 -39.99 89.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.589 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.595 HD12 ' N ' ' A' ' 45' ' ' ILE . 1.7 mp -63.96 -44.6 97.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.125 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 48.2 mtt -62.41 -38.92 91.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.485 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -58.25 -43.02 87.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.601 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.0 t -63.09 -43.43 98.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -61.25 -41.17 96.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.064 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.427 ' C ' ' H ' ' A' ' 52' ' ' LYS . 82.5 t -67.66 -41.04 85.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.84 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -53.91 -10.03 0.29 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.681 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.427 ' H ' ' C ' ' A' ' 50' ' ' VAL . 57.4 mtpt . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.38 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 58.9 p . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.886 0.374 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.8 t -61.64 -43.34 99.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.597 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.32 -38.12 89.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.731 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.61 95.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.644 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -63.39 -41.78 98.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.373 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.32 -43.31 99.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.266 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -62.73 -42.54 99.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.765 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.842 -179.748 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 79.6 mt . . . . . 0 N--CA 1.461 0.112 0 CA-C-O 120.868 0.366 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -62.51 -38.55 90.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.268 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 96.4 mmm -62.3 -38.26 88.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.544 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 67.3 mtt -60.67 -35.49 76.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.419 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 61.5 mt -62.17 -41.85 92.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.492 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 32.1 mm -57.3 -46.79 85.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.374 -178.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.47 ' N ' HD12 ' A' ' 99' ' ' LEU . 10.9 mp -63.31 -40.51 97.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 110.369 179.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.36 -36.62 92.77 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.96 -47.15 91.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.805 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 60.1 mt -62.1 -48.16 89.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.321 0.581 . . . . 0.0 110.963 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 104' ' ' ALA . 5.5 p -57.4 -37.12 72.21 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.401 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.455 ' N ' ' SG ' ' A' ' 103' ' ' CYS . . . -58.29 -34.26 70.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.638 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 20.1 mm -63.64 -43.37 98.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.711 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.9 mm -56.0 -37.7 49.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.32 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 57.2 mt -60.99 -37.06 81.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.427 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 61.5 mt -57.09 -41.5 77.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.448 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.561 ' N ' HD12 ' A' ' 109' ' ' ILE . 1.8 mp -60.43 -41.22 86.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.003 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 33.9 mm -61.15 -44.64 98.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.457 -178.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 44.3 mm -63.69 -47.57 90.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.332 . . . . 0.0 110.864 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.439 ' O ' ' OG1' ' A' ' 116' ' ' THR . 85.6 t -66.07 -43.43 92.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.237 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -60.03 -43.95 94.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.793 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -60.29 -44.11 95.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.823 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 77.7 p -71.05 -22.12 62.17 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.603 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 112' ' ' VAL . 6.4 m . . . . . 0 C--N 1.324 -0.526 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.616 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.803 0.335 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.2 t -62.85 -44.45 99.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.39 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -64.13 -34.84 78.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.025 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.428 ' O ' ' OD2' ' A' ' 44' ' ' ASP . 83.1 tt0 -60.91 -31.05 70.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.573 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.5 t -63.82 -18.61 22.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.622 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.5 t -60.93 -47.74 92.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.738 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' A' ' 41' ' ' GLU . 0.7 OUTLIER -67.67 -38.05 83.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.561 179.729 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.9 mm -64.76 -44.05 96.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.469 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 62.7 ttp -61.92 -39.61 92.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.368 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -58.92 -43.37 91.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.468 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.63 -42.93 97.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.555 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -60.03 -41.34 92.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.043 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.81 -43.44 89.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.106 0.479 . . . . 0.0 110.654 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.14 -19.5 64.82 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.617 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.424 179.652 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 68.7 p . . . . . 0 CA--C 1.527 0.085 0 CA-C-O 120.705 0.288 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 78.1 p -62.45 -39.89 94.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.488 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.74 -36.27 83.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.578 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.32 -36.15 79.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.491 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -62.6 -42.06 99.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.617 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.13 -41.8 99.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.613 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -77.44 -18.12 57.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.563 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 . . . . . 0 C--N 1.327 -0.406 0 CA-C-O 121.141 0.496 . . . . 0.0 110.744 -179.637 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.4 pp . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.864 0.364 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -62.37 -42.63 99.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.362 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 96.8 mtp -63.72 -34.27 77.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.764 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 80.5 mtp -62.14 -36.04 80.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.633 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.04 -45.58 98.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.38 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.54 ' N ' HD12 ' A' ' 98' ' ' ILE . 1.5 mp -65.71 -44.37 93.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.937 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.51 -41.21 96.97 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.523 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -56.58 -37.95 78.58 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 74.6 t -61.08 -45.27 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.413 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.6 mm -64.43 -44.46 97.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.429 0.633 . . . . 0.0 110.457 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 90.0 m -63.82 -37.82 88.79 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.609 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.95 74.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.422 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.5 -43.41 98.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.505 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 30.3 mm -54.67 -37.47 39.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.181 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 61.0 mt -61.85 -40.6 95.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.551 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.9 mt -50.6 -40.59 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.53 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.679 ' N ' HD12 ' A' ' 109' ' ' ILE . 1.9 mp -61.97 -42.74 95.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.488 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.74 -43.8 97.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.545 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.1 mp -64.28 -45.2 96.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.274 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 77.9 t -64.95 -44.94 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.268 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -65.8 -38.76 89.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.712 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -60.34 -45.48 93.31 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.627 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 116' ' ' THR . 6.4 m -68.77 -18.04 64.14 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.952 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 115' ' ' SER . 3.9 t . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.95 -1.024 . . . . 0.0 111.393 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.895 0.378 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.7 p -59.31 -30.9 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.392 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.469 ' O ' HG12 ' A' ' 43' ' ' VAL . 65.2 t0 -64.25 -39.69 94.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.547 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -66.68 -35.99 81.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.579 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.406 ' O ' HG12 ' A' ' 42' ' ' VAL . 97.7 t -53.21 -15.99 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.506 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.596 HG13 ' N ' ' A' ' 44' ' ' ASP . 9.5 p -60.07 -46.42 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.009 0.433 . . . . 0.0 110.591 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.596 ' N ' HG13 ' A' ' 43' ' ' VAL . 64.4 t0 -62.44 -42.69 99.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.522 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 35.2 mm -63.68 -43.76 98.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.475 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 37.0 ttm -61.86 -40.07 94.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.534 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -59.61 -42.75 93.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.314 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.46 -43.73 98.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.572 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -61.03 -41.16 96.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.171 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.3 t -67.11 -38.59 81.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.106 0.479 . . . . 0.0 110.858 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 35.4 t0 -53.01 -17.76 1.64 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.739 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.444 179.82 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 62.5 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.938 0.399 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.1 m -60.86 -42.41 97.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.603 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.2 -17.59 49.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.711 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.22 -28.36 69.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.549 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -64.42 -43.54 94.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.723 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.549 ' N ' HD12 ' A' ' 84' ' ' LEU . 10.2 mp -63.4 -41.08 98.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.336 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -63.04 -41.88 99.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.439 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 . . . . . 0 C--N 1.326 -0.454 0 CA-C-O 121.022 0.439 . . . . 0.0 110.577 -179.925 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.8 tp . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 120.778 0.323 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.2 -39.52 94.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.519 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 26.0 tpp -62.54 -39.91 95.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.513 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 47.7 ttp -60.13 -44.08 95.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.581 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 65.2 mt -64.91 -45.31 95.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.467 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.9 mm -64.08 -43.48 97.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.446 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.9 tp -61.38 -38.79 88.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.326 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -58.65 -34.59 77.35 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 79.7 t -61.28 -47.67 92.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.509 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 102' ' ' ILE . 1.7 mp -63.79 -43.77 98.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.24 0.543 . . . . 0.0 110.437 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 92.2 m -60.31 -35.64 76.05 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.445 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.86 -34.98 73.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.3 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 21.4 mm -63.57 -43.52 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.115 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.27 -42.66 96.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.166 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.28 -42.62 98.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.693 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 91.3 mt -62.26 -42.83 96.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.392 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.16 -43.03 97.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.482 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.31 -44.79 99.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.395 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.1 mm -65.24 -44.54 95.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.74 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 73.1 t -67.28 -42.88 88.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.254 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -60.36 -44.37 95.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.808 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -62.52 -26.97 68.84 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.668 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 72.4 p -82.08 -10.9 59.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.546 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.5 m . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.535 -179.937 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.813 0.339 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 40' ' ' ASP . 9.3 p -64.83 -39.67 86.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.522 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.471 ' N ' HG13 ' A' ' 39' ' ' VAL . 93.5 m-20 -68.92 -20.65 64.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.793 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -65.97 -40.55 91.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.548 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.9 t -64.04 -43.93 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.398 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.2 t -60.29 -42.39 90.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.224 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.88 -40.77 94.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.597 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.9 -43.76 97.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.704 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 68.8 mmm -64.43 -39.95 94.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.461 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -61.92 -42.92 99.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.611 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 73.7 t -64.12 -42.66 96.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -60.2 -40.64 90.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.142 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.7 t -65.03 -43.1 96.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.078 0.466 . . . . 0.0 110.58 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -66.75 -27.94 68.01 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.705 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.035 0.445 . . . . 0.0 110.403 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.1 p . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.804 0.335 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 78.5 p -62.11 -40.01 94.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.585 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.89 -19.93 56.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.706 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.98 97.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.649 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.84 -44.92 91.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.726 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.9 mt -63.17 -42.06 99.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.445 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -60.4 -42.47 96.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.587 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.74 179.91 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.868 0.366 . . . . 0.0 110.063 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.34 -36.8 78.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.404 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 73.9 mtm -63.39 -39.06 93.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.426 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 90.1 mmm -66.47 -39.35 88.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.3 -49.6 83.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.106 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.0 tt -66.69 -38.01 80.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.673 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 31.2 mt -62.98 -39.76 95.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.343 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.15 -33.81 85.63 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 85.6 t -62.99 -44.24 99.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.812 0.339 . . . . 0.0 110.729 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 12.9 mm -63.57 -45.21 98.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.205 0.526 . . . . 0.0 110.583 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 104' ' ' ALA . 5.6 p -64.07 -37.92 89.19 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.557 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.473 ' N ' ' SG ' ' A' ' 103' ' ' CYS . . . -59.82 -37.65 79.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.593 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.3 -43.38 98.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.508 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 63.1 mt -57.76 -30.89 38.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.142 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 53.5 tp -68.52 -36.27 78.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.757 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 42.0 mm -59.76 -48.45 87.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.209 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 18.5 pt -65.21 -39.46 85.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.842 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 78.0 mt -60.83 -42.32 92.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.5 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.9 mm -61.45 -42.08 92.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.336 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 116' ' ' THR . 81.0 t -60.81 -45.39 98.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.826 0.346 . . . . 0.0 110.123 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -63.67 -38.46 91.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -60.27 -45.18 94.21 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.809 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.5 m -89.98 -15.82 31.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.863 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.0 m . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 118.099 -0.953 . . . . 0.0 111.114 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.87 0.367 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.5 p -60.64 -26.82 39.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.363 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -61.5 -37.72 84.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.497 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.44 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 76.6 mm-40 -65.68 -29.53 70.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.472 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 82.4 t -69.59 -25.09 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.742 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.5 t -62.05 -47.1 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.715 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 41' ' ' GLU . 2.4 p-10 -71.69 -39.63 70.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.728 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.55 -43.9 98.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.928 0.394 . . . . 0.0 110.448 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.8 ttm -61.54 -39.83 92.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.531 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -57.77 -42.72 84.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.511 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.89 -43.09 94.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.513 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -58.25 -37.6 75.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.26 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.48 -29.55 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.086 0.47 . . . . 0.0 110.536 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -78.37 -28.58 47.11 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.802 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.9 mttm . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.986 0.422 . . . . 0.0 110.971 179.633 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.524 HG23 ' N ' ' A' ' 80' ' ' SER . 11.6 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.792 0.329 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.524 ' N ' HG23 ' A' ' 79' ' ' THR . 94.7 p -60.81 -37.04 80.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.516 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.04 -22.2 65.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.6 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.38 -36.0 80.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.627 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -61.44 -42.27 98.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.464 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.2 tp -63.3 -42.7 99.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.489 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.43 -43.54 98.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.428 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.771 -179.93 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 49.2 tp . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.792 0.329 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -59.75 -39.8 86.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.393 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 65.0 mtt -63.97 -37.43 87.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.394 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 6.9 ttt -61.2 -35.74 77.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.78 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 95.4 mt -61.75 -42.37 94.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.266 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 96.6 mt -58.84 -47.08 90.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.567 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.468 ' N ' HD22 ' A' ' 99' ' ' LEU . 4.0 mm? -64.6 -38.05 89.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.366 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -58.29 -38.92 91.74 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.32 -47.87 91.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.464 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 53.8 mt -62.43 -47.92 90.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.407 0.622 . . . . 0.0 110.588 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 93.1 m -58.69 -38.87 79.2 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.409 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.06 -35.0 64.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.28 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 67.6 mt -63.28 -42.06 95.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.595 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 64.6 mt -60.8 -43.59 95.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.654 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.05 -41.27 97.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.509 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.401 ' O ' HG23 ' A' ' 112' ' ' VAL . 96.8 mt -63.16 -43.24 98.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.432 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.39 -43.34 98.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.396 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 93.8 mt -61.94 -43.01 96.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.39 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.21 -42.13 94.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.654 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 108' ' ' ILE . 52.1 t -57.36 -29.91 34.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -96.16 -17.52 20.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.489 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -61.35 -45.42 94.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.062 0.458 . . . . 0.0 110.897 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 116' ' ' THR . 8.6 t -63.36 -20.41 65.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.946 -179.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 115' ' ' SER . 4.9 t . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.038 -0.982 . . . . 0.0 111.364 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.784 0.326 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.6 m -62.09 -7.29 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.373 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 41' ' ' GLU . 42.2 p-10 -63.88 -35.66 81.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.522 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.505 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 98.1 mt-10 -66.36 -38.19 87.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.714 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.478 ' O ' ' SD ' ' A' ' 46' ' ' MET . 91.2 t -54.3 -16.78 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.491 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.17 -43.56 98.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.637 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 45' ' ' ILE . 2.5 p30 -62.84 -35.06 78.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.609 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.533 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 57.6 mt -63.63 -43.86 98.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.463 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.569 ' SD ' ' N ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -62.88 -38.37 90.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.34 -179.851 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -61.84 -40.65 96.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.51 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.21 -43.46 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.569 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -59.13 -40.47 85.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.048 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.9 t -66.14 -43.57 92.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.14 0.495 . . . . 0.0 110.81 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -74.42 -15.07 60.93 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.839 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.318 -179.89 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.754 0.311 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.7 t -61.45 -43.12 99.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.634 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.56 -38.27 90.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.663 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.85 92.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.419 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -62.48 -45.48 92.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.645 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.2 tp -62.93 -40.6 98.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.183 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -62.87 -41.4 99.36 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.803 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.108 -179.711 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.53 ' N ' HD12 ' A' ' 93' ' ' LEU . 10.4 mp . . . . . 0 CA--C 1.522 -0.119 0 CA-C-O 120.937 0.399 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -58.38 -43.56 88.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.411 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 66.0 mtt -64.74 -39.51 93.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.907 0.384 . . . . 0.0 110.447 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 62.9 ttp -61.52 -40.97 96.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.335 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.93 -43.51 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.497 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.67 -43.14 98.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.333 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.71 -40.31 96.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.65 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.6 -34.92 90.2 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.412 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 73.9 t -61.84 -46.76 95.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.601 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 59.7 mt -59.88 -48.24 88.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.416 0.627 . . . . 0.0 110.619 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 72.2 m -56.56 -35.06 67.73 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.472 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -55.53 -39.44 70.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.589 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.519 ' N ' HD12 ' A' ' 105' ' ' ILE . 1.9 mp -62.85 -40.52 89.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.262 -0.427 . . . . 0.0 109.858 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.54 ' O ' HG22 ' A' ' 109' ' ' ILE . 61.3 mt -57.91 -48.19 84.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.415 -178.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.465 ' N ' HD12 ' A' ' 107' ' ' LEU . 11.0 mp -63.44 -39.88 95.67 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.057 0.456 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 88.7 mt -62.38 -43.18 97.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.003 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.54 HG22 ' O ' ' A' ' 106' ' ' ILE . 1.5 tp -53.21 -33.84 21.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.032 0.444 . . . . 0.0 110.027 -178.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 44.4 mm -65.49 -43.02 94.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.697 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 37.5 mm -59.32 -51.87 67.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.018 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.412 HG22 ' H ' ' A' ' 112' ' ' VAL . 15.3 m -67.83 -42.93 86.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.989 0.423 . . . . 0.0 110.544 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.407 ' N ' HG23 ' A' ' 112' ' ' VAL . 87.8 t80 -59.65 -43.57 93.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.814 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -59.9 -43.99 94.5 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.749 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.3 m -85.38 -7.02 59.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.686 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 31.0 m . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.575 -179.895 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.481 ' NE2' ' OE1' ' A' ' 41' ' ' GLU . 61.1 tp60 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.793 0.33 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.545 ' O ' HG12 ' A' ' 42' ' ' VAL . 92.9 t -63.11 -46.47 95.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.512 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 40' ' ' ASP . 65.4 t0 -65.42 -37.41 86.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.609 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.481 ' OE1' ' NE2' ' A' ' 38' ' ' GLN . 97.0 mt-10 -58.96 -19.93 47.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.77 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 39' ' ' VAL . 8.1 p -48.4 -25.58 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.429 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.6 t -61.97 -44.04 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.297 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.401 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 65.5 t0 -58.63 -44.71 90.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.715 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.419 ' H ' HD12 ' A' ' 45' ' ' ILE . 3.7 mp -64.69 -42.56 95.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.39 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 91.2 mtp -61.65 -41.32 97.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.493 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.401 ' HE ' ' HA ' ' A' ' 44' ' ' ASP . 86.5 mtm180 -63.19 -39.55 94.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.578 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.6 t -63.9 -43.87 97.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.607 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -61.5 -42.07 98.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.32 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.405 ' C ' ' H ' ' A' ' 52' ' ' LYS . 99.2 t -71.82 -28.33 30.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.141 0.496 . . . . 0.0 110.851 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -56.18 -9.24 0.61 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.599 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' A' ' 50' ' ' VAL . 63.9 pttt . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.396 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.9 m . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 120.826 0.346 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.2 t -61.64 -43.07 99.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.467 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.88 -37.28 86.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.647 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.84 -47.95 79.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.635 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -61.65 -42.51 98.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.431 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.97 -41.29 97.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.417 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.1 -35.93 78.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.56 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 -179.417 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 83.3 mt . . . . . 0 N--CA 1.461 0.1 0 CA-C-O 120.797 0.332 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -63.73 -34.18 77.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.524 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 97.1 mtp -64.86 -38.95 92.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.658 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 36.9 ttm -61.89 -36.23 80.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.316 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.4 mm -61.68 -46.74 95.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.654 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 35.7 mm -64.51 -43.43 96.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.113 0.483 . . . . 0.0 110.292 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.7 tt -62.02 -39.42 92.21 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.802 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -59.3 -34.76 81.8 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 94.5 t -63.31 -44.86 99.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 110.67 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.8 mm -64.36 -44.14 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.342 0.592 . . . . 0.0 110.453 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 82.8 m -63.09 -36.29 83.09 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.455 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.35 -35.46 77.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.489 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.48 -43.65 98.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.383 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 35.8 mm -63.85 -42.83 97.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.372 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.605 ' O ' HD23 ' A' ' 107' ' ' LEU . 1.6 tt -60.73 -44.11 97.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.119 0.485 . . . . 0.0 110.169 -179.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 96.2 mt -62.64 -42.34 95.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.426 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.7 mm -61.51 -42.65 94.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.439 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.07 -43.87 98.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.923 0.392 . . . . 0.0 110.314 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.4 mm -65.21 -43.97 95.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.933 0.397 . . . . 0.0 110.498 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 98.9 t -71.52 -25.36 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.533 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.515 ' O ' HG22 ' A' ' 116' ' ' THR . 91.3 t80 -60.71 -44.69 96.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.631 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -65.67 -38.13 88.44 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.724 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 74.6 m -82.64 -7.66 59.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.813 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 113' ' ' TYR . 13.7 t . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.892 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.875 0.369 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.46 ' O ' HG12 ' A' ' 42' ' ' VAL . 9.1 p -67.57 -37.24 78.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.592 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.424 ' O ' HG12 ' A' ' 43' ' ' VAL . 47.9 t0 -64.97 -22.09 66.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.407 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -55.12 -21.97 14.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.699 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 39' ' ' VAL . 10.1 p -62.05 -22.51 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.489 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.576 HG13 ' N ' ' A' ' 44' ' ' ASP . 9.4 p -58.81 -45.13 91.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.071 0.462 . . . . 0.0 110.536 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.576 ' N ' HG13 ' A' ' 43' ' ' VAL . 99.4 m-20 -57.5 -45.04 85.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.291 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.37 -42.7 97.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.449 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.431 ' SD ' ' C ' ' A' ' 46' ' ' MET . 13.9 tmm? -59.83 -38.77 82.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.602 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 -62.34 -39.35 92.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.513 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.2 t -61.92 -44.4 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.666 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -60.09 -40.31 89.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.944 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.21 -41.42 92.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.71 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.53 -38.26 83.87 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.557 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.951 0.405 . . . . 0.0 110.461 179.874 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 66.3 p . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.875 0.369 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.0 p -63.28 -29.23 70.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.485 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.96 98.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.504 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.06 82.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.857 0.36 . . . . 0.0 110.573 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -65.5 -37.69 87.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.515 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.8 tp -60.59 -42.9 97.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.495 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.19 -40.68 96.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.231 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.051 -179.818 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 41.5 mt . . . . . 0 CA--C 1.522 -0.117 0 CA-C-O 120.802 0.334 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -54.77 -49.74 70.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.105 0.478 . . . . 0.0 110.155 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 37.8 ttm -64.21 -37.12 86.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.388 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 97.4 mmm -63.33 -35.83 81.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.381 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.44 -42.9 97.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.548 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.57 -43.61 98.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.084 0.469 . . . . 0.0 109.944 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.584 ' O ' HD13 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -62.25 -40.3 95.73 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.245 0.545 . . . . 0.0 110.743 -179.033 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -57.52 -33.19 65.99 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.9 t -62.18 -47.02 95.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.323 . . . . 0.0 110.476 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.575 ' N ' HD12 ' A' ' 102' ' ' ILE . 1.7 mp -63.57 -44.77 98.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.242 0.544 . . . . 0.0 110.427 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 97.4 m -64.16 -42.82 96.59 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.576 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.32 -36.59 43.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.629 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.65 -42.37 95.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.538 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.3 mt -60.12 -43.19 92.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.289 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 107' ' ' LEU . 4.2 mm? -63.07 -41.81 99.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.126 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 89.5 mt -60.82 -42.24 91.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.581 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 86.5 mt -56.9 -39.85 67.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.341 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 94.4 mt -60.5 -44.23 96.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.466 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.406 ' N ' HD12 ' A' ' 111' ' ' ILE . 2.1 mp -65.01 -44.48 95.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.272 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 78.0 t -64.81 -39.32 85.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.089 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -53.16 -45.26 68.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.714 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -62.71 -41.23 99.03 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.872 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 78.1 p -71.61 -22.01 61.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.792 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.1 m . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.677 -179.818 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.746 0.308 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.0 t -62.06 -43.63 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.473 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.46 ' O ' HG12 ' A' ' 43' ' ' VAL . 60.2 t0 -60.81 -34.58 74.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.456 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.31 -33.98 77.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.683 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.504 ' O ' HG12 ' A' ' 42' ' ' VAL . 95.5 t -63.3 -7.82 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.582 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.576 HG13 ' N ' ' A' ' 44' ' ' ASP . 7.2 p -60.34 -46.13 95.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.145 0.498 . . . . 0.0 110.644 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.576 ' N ' HG13 ' A' ' 43' ' ' VAL . 98.6 m-20 -63.43 -43.1 98.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.448 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.6 mm -64.94 -43.38 96.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.641 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 45.6 ttp -51.81 -43.72 63.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.463 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -61.18 -43.05 99.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.479 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.9 t -66.22 -42.84 91.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.644 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -57.94 -41.18 82.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.078 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.8 t -64.11 -43.47 97.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.056 0.455 . . . . 0.0 110.734 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -63.34 -33.69 76.08 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.745 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.5 tttp . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.314 -179.831 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 45.1 p . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.767 0.318 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 94.9 p -58.11 -31.58 67.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.444 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.3 -34.02 73.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.493 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.02 -44.89 91.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.662 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -63.61 -38.82 92.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.442 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 48.3 tp -62.72 -42.35 99.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.487 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.1 -38.92 88.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.421 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.656 -179.888 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.557 ' O ' HD13 ' A' ' 93' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 121.224 0.535 . . . . 0.0 110.516 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -64.37 -33.96 77.07 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.47 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 58.1 mtt -62.27 -34.73 77.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.318 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 97.0 mmm -75.4 -38.34 59.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.05 -46.28 88.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.18 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.426 HG23 ' N ' ' A' ' 99' ' ' LEU . 20.5 tt -65.43 -38.59 82.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.619 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.426 ' N ' HG23 ' A' ' 98' ' ' ILE . 32.8 mt -62.7 -39.79 95.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.729 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.08 -33.62 84.79 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.0 t -63.24 -43.78 98.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.81 0.338 . . . . 0.0 110.524 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.6 mm -62.46 -44.48 99.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.339 0.59 . . . . 0.0 110.449 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.5 ' HA ' HD12 ' A' ' 106' ' ' ILE . 11.1 p -70.44 -32.64 70.3 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.832 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.77 -51.01 71.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.011 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 21.5 pt -64.94 -33.85 66.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 103' ' ' CYS . 82.4 mt -62.69 -42.29 95.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.306 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.4 tp -59.19 -42.94 92.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.564 -178.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 40.5 mm -63.01 -42.74 97.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.527 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.09 -42.98 97.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.332 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.7 mt -62.56 -44.74 99.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.521 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 33.1 mm -65.19 -44.48 95.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.764 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 70.4 t -67.31 -43.06 88.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.161 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.56 ' O ' HG22 ' A' ' 116' ' ' THR . 88.5 t80 -61.81 -40.28 94.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.696 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -63.75 -41.82 97.94 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.642 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.8 t -66.9 -19.03 65.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.932 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 113' ' ' TYR . 10.9 t . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.828 -1.082 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 . . . . . 0 C--O 1.229 0.013 0 CA-C-O 120.908 0.385 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.531 ' O ' HG12 ' A' ' 42' ' ' VAL . 95.2 t -64.31 -43.23 97.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.413 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -61.79 -38.03 86.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.661 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -52.78 -18.63 1.96 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.621 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 39' ' ' VAL . 8.8 p -54.53 -29.27 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.329 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 77.3 t -61.36 -44.75 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.503 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.01 -40.35 95.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.446 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.6 mt -78.87 -30.79 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.986 0.422 . . . . 0.0 110.65 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 47.6 ttp -59.56 -48.41 81.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.857 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -65.9 -39.84 90.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.727 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.2 t -66.36 -43.1 91.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.432 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -57.98 -41.28 82.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.128 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.16 -43.64 98.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.084 0.468 . . . . 0.0 110.753 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -64.34 -33.68 76.41 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.355 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.1 tttm . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.351 -179.737 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.447 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.794 0.33 . . . . 0.0 110.514 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.4 m -58.8 -41.99 88.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.622 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.07 -22.78 67.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.713 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 79' ' ' THR . . . -56.18 -35.1 66.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.534 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -59.87 -41.43 91.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.539 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.73 -40.44 97.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.612 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -64.08 -37.02 85.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.697 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.907 -179.624 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.562 ' N ' HD22 ' A' ' 93' ' ' LEU . 3.9 mm? . . . . . 0 CA--C 1.52 -0.201 0 CA-C-O 120.578 0.227 . . . . 0.0 110.671 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -52.62 -34.49 51.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.408 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 42.9 tpp -60.22 -39.4 86.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.059 0.457 . . . . 0.0 110.392 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 28.3 ttt -67.85 -38.07 82.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.515 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 36.3 mm -60.89 -50.53 80.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 13.2 tt -67.8 -37.35 78.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.688 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.58 -41.07 98.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.521 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -62.27 -34.54 89.53 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.6 t -61.56 -45.66 98.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.589 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 59.2 mt -61.45 -50.24 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.788 -179.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 104' ' ' ALA . 8.7 p -60.97 -36.33 79.12 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.63 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.466 ' N ' ' SG ' ' A' ' 103' ' ' CYS . . . -59.51 -38.81 81.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.482 -179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.8 -42.73 97.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.456 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 32.6 mm -57.35 -38.52 62.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.27 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.38 -37.35 80.47 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.581 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.599 ' O ' HG23 ' A' ' 112' ' ' VAL . 35.4 mm -61.82 -42.61 95.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 33.3 mm -69.35 -42.83 81.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.602 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.92 -50.85 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.088 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.414 ' HA ' HD12 ' A' ' 111' ' ' ILE . 10.8 tp -66.78 -37.61 79.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -179.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 108' ' ' ILE . 37.5 t -66.08 -39.15 83.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.125 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -56.19 -46.34 79.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.552 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -62.19 -40.52 96.32 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.882 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.2 t -70.93 -33.79 70.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.757 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 C--O 1.219 -0.546 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.656 -179.611 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.84 0.353 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.4 t -62.29 -43.99 98.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.287 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -46.64 -20.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.771 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -93.11 -38.36 11.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.39 -43.02 97.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.666 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 44' ' ' ASP . 9.7 p -54.77 -40.21 50.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.341 0.591 . . . . 0.0 110.46 -179.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.478 ' N ' HG13 ' A' ' 43' ' ' VAL . 65.6 t0 -58.75 -41.51 86.7 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.267 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.5 mm -64.28 -42.25 94.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.474 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.5 ttm -57.25 -40.0 76.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.61 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.98 -39.13 93.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.832 0.348 . . . . 0.0 110.561 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.9 t -63.68 -43.14 97.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -58.94 -40.05 83.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.232 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.49 -36.84 78.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.771 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -51.82 -25.3 7.47 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.68 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.25 179.831 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.711 0.291 . . . . 0.0 110.455 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.0 t -60.7 -42.68 97.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.666 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.2 -16.88 64.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.82 -48.8 63.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.474 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -63.35 -41.74 98.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.806 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 52.7 mt -62.5 -41.83 99.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.587 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -62.79 -40.11 96.3 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.578 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.622 -179.672 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.506 ' N ' HD12 ' A' ' 93' ' ' LEU . 10.7 mp . . . . . 0 N--CA 1.462 0.145 0 CA-C-O 120.972 0.415 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -59.22 -39.89 84.14 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.582 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 81.0 mmm -60.87 -38.69 86.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.367 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 66.0 mtt -60.11 -32.59 71.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.617 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 63.7 mt -60.94 -42.36 92.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.352 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.556 ' N ' HD12 ' A' ' 98' ' ' ILE . 1.8 mp -59.56 -42.32 87.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.002 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.2 mp -60.64 -40.98 93.97 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.372 -179.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -62.97 -36.25 93.19 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 73.3 t -62.72 -45.94 97.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.701 0.286 . . . . 0.0 110.684 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 59.7 mt -62.61 -47.69 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.212 0.53 . . . . 0.0 110.497 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 95.3 m -61.82 -36.82 82.28 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.613 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.7 -36.86 79.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.483 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.39 -44.37 97.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.619 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 63.0 mt -61.15 -39.29 81.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.19 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.9 tp -58.51 -37.99 76.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.468 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.559 ' O ' HG23 ' A' ' 112' ' ' VAL . 96.3 mt -61.56 -43.86 97.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 0.0 110.351 -179.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 109' ' ' ILE . 3.4 mp -66.93 -43.61 89.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.547 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.32 -52.1 65.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.063 -178.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 10.7 tp -66.81 -37.61 79.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.715 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 108' ' ' ILE . 30.2 t -65.13 -39.51 85.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.003 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -55.35 -46.01 76.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -178.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -61.61 -44.66 96.58 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.525 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.7 t -67.67 -18.39 64.92 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.935 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.8 t . . . . . 0 N--CA 1.468 0.454 0 CA-C-O 118.042 -0.98 . . . . 0.0 111.551 -179.925 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.775 0.321 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.1 t -62.88 -44.08 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.567 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -54.13 -38.19 65.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.383 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -67.31 -35.42 79.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.523 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.2 t -65.92 -27.12 40.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.529 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.4 t -63.35 -45.91 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.468 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -63.11 -42.29 99.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.623 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.45 -43.4 98.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.48 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 75.6 mmm -64.3 -40.6 96.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.665 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -60.69 -43.12 98.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.53 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.41 -43.03 98.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.53 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -58.87 -41.09 86.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.269 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.7 t -65.01 -42.19 94.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.623 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.438 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 66.7 t0 -61.4 -34.79 75.95 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.619 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.436 -179.944 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 68.8 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.879 0.371 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.4 t -61.94 -43.31 99.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.555 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.37 -35.82 81.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.628 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.7 -35.61 76.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.677 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -59.93 -46.03 90.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.434 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.531 HD22 ' N ' ' A' ' 84' ' ' LEU . 4.0 mm? -63.55 -41.29 98.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.459 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.06 -37.46 87.27 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.559 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.2 tpt85 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.76 -179.323 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 54.5 mt . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.779 0.324 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.1 -42.6 95.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.661 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 58.2 mtt -64.46 -38.71 91.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.511 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 92.5 mtp -63.27 -40.88 98.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.484 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.91 -43.97 97.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.403 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.25 -42.78 97.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.339 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 99' ' ' LEU . 1.3 tt -61.62 -41.8 97.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.219 0.533 . . . . 0.0 110.143 -178.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -56.77 -37.37 76.96 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 80.3 t -61.9 -44.42 98.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.768 0.318 . . . . 0.0 110.509 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.9 mm -64.03 -43.77 97.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.482 0.658 . . . . 0.0 110.418 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 89.8 m -63.63 -36.36 83.56 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.485 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.82 -36.34 78.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.535 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.26 -42.36 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.497 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.4 mm -57.13 -39.08 64.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.27 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.38 -41.69 94.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.416 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.5 mm -64.38 -43.32 97.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.903 0.382 . . . . 0.0 110.39 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.66 -43.71 98.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.44 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.52 -43.31 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.449 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.8 mm -63.61 -44.08 98.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.623 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 78.8 t -66.96 -44.41 88.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.155 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -63.79 -39.25 93.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.787 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -60.14 -45.09 94.2 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.672 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.3 t -70.85 -36.21 72.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.604 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.2 m . . . . . 0 C--N 1.323 -0.577 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.681 -179.71 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.814 0.34 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.15 -43.02 92.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.404 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.474 ' O ' HG12 ' A' ' 43' ' ' VAL . 98.3 m-20 -65.04 -19.8 66.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.469 -179.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 -64.76 -31.35 72.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.467 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.403 HG12 ' O ' ' A' ' 42' ' ' VAL . 59.4 t -62.74 -15.51 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.569 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.547 HG13 ' N ' ' A' ' 44' ' ' ASP . 7.3 p -58.03 -44.35 86.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 -179.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.547 ' N ' HG13 ' A' ' 43' ' ' VAL . 48.7 t0 -54.11 -41.28 68.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.283 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 35.7 mm -63.51 -42.38 95.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.607 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 56.3 ttp -66.49 -36.4 82.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.604 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.16 -48.15 82.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.3 m -70.53 -27.21 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.884 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -63.04 -36.88 85.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.453 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.6 t -62.64 -39.01 83.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.329 0.585 . . . . 0.0 110.571 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -71.16 -35.5 71.68 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.895 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.467 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.792 0.33 . . . . 0.0 110.431 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 93.6 p -58.64 -37.52 76.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.66 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.31 -27.63 69.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.617 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.05 -38.52 86.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.523 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -62.78 -42.32 99.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.566 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.563 ' N ' HD12 ' A' ' 84' ' ' LEU . 9.7 mp -65.95 -37.58 86.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.335 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -59.88 -32.23 70.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.518 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.444 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.57 ' N ' HD12 ' A' ' 93' ' ' LEU . 10.0 mp . . . . . 0 N--CA 1.461 0.107 0 CA-C-O 120.705 0.288 . . . . 0.0 110.477 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 66.6 tttm -61.24 -37.1 81.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.557 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 98.2 mtp -63.49 -36.25 83.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.595 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.0 mmt -62.01 -39.32 91.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.416 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 36.7 mm -63.08 -43.9 99.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.511 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.85 -43.54 98.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.393 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.7 mt -61.71 -39.2 90.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.679 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.27 -34.96 90.09 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.485 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 72.0 t -61.51 -45.42 98.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.724 0.297 . . . . 0.0 110.496 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.406 ' O ' ' CG1' ' A' ' 105' ' ' ILE . 64.5 mt -60.56 -50.29 80.98 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.586 0 CA-C-O 121.269 0.557 . . . . 0.0 110.541 -179.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 13.2 p -64.98 -25.29 67.8 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.14 0.495 . . . . 0.0 110.593 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -54.75 -52.92 61.03 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.068 -178.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.406 ' CG1' ' O ' ' A' ' 102' ' ' ILE . 6.2 pt -62.64 -39.28 84.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.903 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.91 -41.91 77.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.2 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 80.2 mt -59.42 -38.86 81.72 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.272 -178.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.8 mm -59.96 -42.8 90.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.681 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.6 mm -62.93 -42.92 98.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.662 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 95.0 mt -62.44 -43.75 98.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.434 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.438 HD13 ' HA ' ' A' ' 111' ' ' ILE . 32.6 mm -64.36 -44.16 97.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.797 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 69.7 t -66.41 -42.95 91.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.224 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -60.11 -41.09 91.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.846 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -59.03 -42.58 90.55 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.541 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 83.8 p -79.64 -8.32 59.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.823 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 16.3 m . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.669 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.551 ' SD ' ' N ' ' A' ' 4' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 t -61.32 -44.03 97.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.564 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.433 ' CA ' ' SD ' ' A' ' 1' ' ' MET . . . -168.71 112.14 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.551 ' N ' ' SD ' ' A' ' 1' ' ' MET . 89.4 m -126.01 129.57 49.46 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.454 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.61 145.86 37.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.455 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.404 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -63.83 -37.84 88.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.592 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 6' ' ' ALA . 45.6 p 51.74 64.79 1.71 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.51 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.431 HG22 ' H ' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -57.06 152.0 31.63 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.616 -179.149 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.49 165.99 21.0 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 122.474 2.116 . . . . 0.0 112.369 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -49.95 140.34 31.6 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.385 2.056 . . . . 0.0 112.061 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.24 90.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.509 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 50.71 73.21 1.02 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.486 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 14' ' ' ALA . 52.2 Cg_exo -52.64 -38.69 76.63 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.74 2.294 . . . . 0.0 112.103 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . 59.59 118.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.514 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.63 -108.75 0.24 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 54.41 40.55 31.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.809 0.337 . . . . 0.0 110.542 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.97 145.77 47.09 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.481 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 178.85 51.89 0.08 OUTLIER Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 18' ' ' GLY . 23.5 Cg_endo -62.4 166.28 13.5 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.485 2.124 . . . . 0.0 112.093 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -48.86 -38.52 38.4 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 122.347 2.031 . . . . 0.0 111.93 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 56.04 68.43 2.32 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.461 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -77.63 161.38 30.97 Favored 'Trans proline' 0 C--N 1.31 -1.472 0 C-N-CA 122.465 2.11 . . . . 0.0 112.239 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -39.29 155.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 122.581 2.187 . . . . 0.0 112.21 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.75 144.39 71.36 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.635 2.223 . . . . 0.0 111.96 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -63.23 -40.54 97.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.466 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.6 mt -111.9 145.22 39.91 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.44 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.578 HG23 ' N ' ' A' ' 28' ' ' SER . 15.2 t -62.5 -45.65 92.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.442 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.578 ' N ' HG23 ' A' ' 27' ' ' THR . 58.2 m -142.25 149.03 39.06 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.56 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -159.03 -88.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.607 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -170.09 -65.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.526 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -60.69 -42.85 97.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.509 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.3 -41.49 98.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.711 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -59.47 -41.91 90.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.52 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -63.83 -26.53 68.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.639 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.466 HG22 ' H ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -69.51 175.17 4.26 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 120.953 0.406 . . . . 0.0 110.389 -179.617 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.466 ' H ' HG22 ' A' ' 35' ' ' THR . 86.4 mt-30 -91.25 -10.75 40.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.62 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.1 -25.5 67.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.645 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -69.51 -55.16 10.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 36.0 m -68.06 -24.97 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.564 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -61.66 -42.47 98.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.595 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -67.99 -31.6 71.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.434 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.4 t -64.53 -25.47 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.57 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.3 t -62.5 -44.92 99.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.356 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -62.36 -43.15 99.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.464 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.15 -43.81 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.53 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.452 ' SD ' ' C ' ' A' ' 46' ' ' MET . 18.8 tmm? -61.85 -40.84 96.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.458 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -60.38 -42.94 96.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.562 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.432 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 88.3 t -63.29 -43.77 98.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.738 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -57.03 -37.56 71.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.351 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.05 -44.66 99.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.032 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 48' ' ' VAL . 1.9 p30 -87.27 -8.69 56.49 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 48' ' ' VAL . 63.4 tttp -65.45 -46.68 78.94 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.623 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.495 HG13 ' N ' ' A' ' 54' ' ' LEU . 9.9 p -64.39 -41.74 93.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.5 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.495 ' N ' HG13 ' A' ' 53' ' ' VAL . 60.3 tp -62.5 -42.6 99.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.602 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -71.97 141.84 49.4 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.351 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -129.95 150.66 51.13 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.574 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -84.0 101.05 11.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.407 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -73.78 129.99 39.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.571 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.422 ' N ' ' CD ' ' A' ' 59' ' ' LYS . 4.0 mptp? -63.33 -41.91 98.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.598 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 62' ' ' GLU . 54.7 mt -62.99 -41.14 99.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.495 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.2 t 54.2 6.2 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.723 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.484 ' H ' ' C ' ' A' ' 60' ' ' LEU . 97.6 mt-10 -63.24 -16.66 60.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.655 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 tp 61.92 6.33 1.66 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.597 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -77.47 122.93 25.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.511 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.4 -42.43 99.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.609 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 -140.1 148.62 41.98 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.461 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.48 -10.89 2.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.515 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 69' ' ' ALA . 37.3 p-10 -63.95 -37.15 86.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.675 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.506 ' N ' ' OD1' ' A' ' 68' ' ' ASP . . . 60.83 55.94 3.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.748 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' A' ' 69' ' ' ALA . 86.6 mt -47.28 -96.64 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.728 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -173.44 -77.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.632 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.35 152.87 22.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.528 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 156.94 -163.47 32.29 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 75' ' ' SER . . . -63.23 -38.43 91.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.683 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 74' ' ' ALA . 16.8 t 57.53 154.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.665 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -75.86 -14.76 60.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.526 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -60.8 -45.83 92.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.626 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -65.09 -41.39 95.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.601 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.2 p -66.29 -34.23 77.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.66 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.7 t -61.27 -43.76 98.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.648 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.19 -28.03 68.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.697 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.67 -38.18 86.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.587 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -63.4 -43.4 97.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.491 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.524 ' N ' HD12 ' A' ' 84' ' ' LEU . 10.5 mp -63.3 -42.8 99.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.45 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -64.95 -35.99 82.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.642 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -58.54 -34.09 70.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.685 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -60.65 -43.85 97.09 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.63 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -65.55 -40.49 92.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.736 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -87.81 179.36 6.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.553 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.607 ' CD1' ' N ' ' A' ' 90' ' ' TRP . 0.0 OUTLIER -153.25 78.97 1.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.397 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -79.88 -10.72 59.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.56 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 93' ' ' LEU . 32.0 p-10 -63.27 -39.42 94.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.56 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.414 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 88.8 mt -62.46 -41.03 98.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.638 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -61.24 -38.72 87.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.533 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 87.9 mmm -63.49 -35.79 81.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.444 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 15.9 tpp -75.37 -40.49 58.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.729 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.65 -46.3 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.87 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 99' ' ' LEU . 21.0 tt -70.05 -37.95 73.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.518 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.436 ' N ' HG23 ' A' ' 98' ' ' ILE . 48.6 tp -61.55 -41.81 97.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.512 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.91 -36.78 93.32 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.56 -46.72 95.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.721 0.296 . . . . 0.0 110.532 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 59.1 mt -62.1 -48.23 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.182 0.515 . . . . 0.0 110.668 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 80.6 m -61.81 -36.31 80.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.609 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.68 -37.59 79.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.511 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.98 -43.32 97.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.465 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.53 -42.64 96.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.417 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.7 -41.65 97.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.547 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.36 -43.3 98.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.383 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.87 -43.6 99.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.7 -43.64 98.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.407 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.9 mm -63.66 -44.22 98.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.682 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.504 ' O ' ' N ' ' A' ' 116' ' ' THR . 69.8 t -67.29 -43.78 87.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.192 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -61.09 -44.86 96.72 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.811 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -60.46 -44.93 95.35 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.765 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 80.3 p -85.29 -13.56 49.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.8 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 112' ' ' VAL . 9.6 m . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.824 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.0 ttp . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.2 m -60.5 -41.35 94.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.607 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.89 94.24 3.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.614 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 58.9 p -66.29 -34.71 78.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.558 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -170.22 13.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.548 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 50.85 81.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.61 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.5 m -62.62 -46.1 89.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.515 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.7 t 45.09 67.76 3.89 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.322 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -78.36 115.56 3.72 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.606 2.204 . . . . 0.0 111.823 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -50.32 -38.39 52.14 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 122.341 2.027 . . . . 0.0 112.286 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -156.86 152.89 27.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.583 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 58.83 74.82 0.56 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.411 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -51.86 -38.3 67.73 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.795 2.33 . . . . 0.0 112.183 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.06 139.27 48.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.517 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.61 -40.6 97.68 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -72.68 129.31 37.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.747 0.308 . . . . 0.0 110.401 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 150.3 146.79 4.4 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.515 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 150.45 -49.81 0.55 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 18' ' ' GLY . 24.7 Cg_exo -60.19 -174.17 0.09 OUTLIER 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.679 2.253 . . . . 0.0 112.073 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' A' ' 19' ' ' PRO . 31.6 Cg_exo -60.88 146.14 97.99 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 122.742 2.294 . . . . 0.0 111.973 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.593 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -45.57 164.8 0.19 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.479 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 74.7 Cg_exo -42.36 155.49 0.1 Allowed 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.579 2.186 . . . . 0.0 112.157 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.62 163.91 31.01 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 122.568 2.179 . . . . 0.0 112.139 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -44.18 -55.85 2.89 Favored 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 122.548 2.166 . . . . 0.0 112.192 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.439 ' O ' ' O ' ' A' ' 26' ' ' LEU . 64.7 t30 -173.32 -67.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.68 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.576 HD22 ' N ' ' A' ' 26' ' ' LEU . 3.6 mm? 58.16 141.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.238 0.542 . . . . 0.0 110.724 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.2 p -67.46 -38.42 84.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.507 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 55.5 m -87.18 93.98 9.53 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.436 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' A' ' 25' ' ' ASN . 93.3 m-20 -99.93 3.39 44.41 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.464 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -86.3 99.48 11.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.628 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 81.7 mmt-85 -92.87 -2.71 55.64 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.6 mt -63.06 -44.14 96.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.549 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -72.97 -37.04 67.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.675 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -79.23 -2.09 39.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.786 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.9 m -58.87 -44.04 91.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.485 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -65.88 -39.46 90.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.837 0.351 . . . . 0.0 110.608 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.89 -12.64 60.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.792 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -56.3 -25.08 47.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.454 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.512 HG13 ' N ' ' A' ' 40' ' ' ASP . 13.6 p -61.92 -41.9 92.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.423 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.512 ' N ' HG13 ' A' ' 39' ' ' VAL . 97.7 m-20 -63.85 -35.91 82.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.581 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -61.56 -40.31 94.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.391 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.8 t -63.25 -43.28 98.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.375 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.8 t -60.39 -44.2 95.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.249 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -59.78 -43.13 94.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.503 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.83 -43.36 97.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.978 0.418 . . . . 0.0 110.474 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 99.4 mtp -67.59 -36.23 80.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.652 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -59.88 -47.92 83.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.998 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.02 -26.54 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.76 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -62.06 -39.7 93.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.484 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.1 t -63.52 -42.71 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.615 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -75.64 -20.68 58.32 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.733 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -67.2 -48.03 69.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.94 0.4 . . . . 0.0 110.55 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.17 -28.77 40.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.748 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.56 -43.05 99.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.724 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -119.45 119.33 33.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.185 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -133.2 134.93 44.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.546 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -84.62 117.16 23.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.486 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.55 -40.97 93.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.553 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.9 tttp 56.5 85.16 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.558 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.617 HD23 ' H ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -73.31 108.71 6.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.008 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.6 m 172.87 -39.67 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.264 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -141.2 -84.49 0.2 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.74 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 74.1 mt -74.62 50.68 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.538 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.516 ' C ' ' H ' ' A' ' 66' ' ' ARG . 40.1 t0 -62.83 -37.75 88.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.533 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 72.15 -21.06 0.23 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.573 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.516 ' H ' ' C ' ' A' ' 64' ' ' ASP . 79.8 mtp85 -64.46 -41.64 96.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.61 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.54 144.33 49.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.651 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.404 ' OD2' ' NE2' ' A' ' 71' ' ' GLN . 39.3 t0 59.89 47.5 9.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.026 0.441 . . . . 0.0 110.554 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.27 -10.56 24.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.407 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.8 tp -61.84 -43.11 99.5 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.443 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.404 ' NE2' ' OD2' ' A' ' 68' ' ' ASP . 88.5 mt-30 -60.98 -39.99 91.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.402 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.03 -40.7 98.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.589 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 68.76 25.58 75.06 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 75' ' ' SER . . . 56.36 94.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.697 0.284 . . . . 0.0 110.571 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 74' ' ' ALA . 95.8 p 51.0 172.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.392 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -103.25 -74.4 0.64 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.727 0.299 . . . . 0.0 110.432 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -154.43 -6.44 0.15 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.694 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -60.34 -16.4 34.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.538 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.9 p -58.37 -44.07 88.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.495 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.4 t -61.67 -44.03 97.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.6 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.65 -34.17 77.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.749 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.86 -36.32 72.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.562 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -61.42 -42.78 99.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.41 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.549 ' N ' HD12 ' A' ' 84' ' ' LEU . 10.5 mp -62.81 -41.83 99.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.921 0.391 . . . . 0.0 110.264 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.18 -41.9 98.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.673 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -57.09 -25.95 59.62 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.0 0.429 . . . . 0.0 110.925 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -53.1 -48.33 67.87 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.497 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -113.45 -33.38 5.92 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.766 0.317 . . . . 0.0 110.696 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 17.8 t90 -83.37 94.28 7.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.482 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.519 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 75.9 t-105 -89.13 43.35 1.14 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.569 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? 51.32 26.89 3.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.519 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 94' ' ' LYS . 51.8 t-20 -102.0 115.85 31.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.407 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 56.3 mt -63.4 -37.29 86.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.461 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.407 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 88.5 tttt -58.77 -41.27 86.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.412 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 64.8 mtt -63.73 -37.97 89.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.476 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 27.1 ttt -60.57 -41.64 95.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.49 -44.09 98.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.362 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.84 -42.89 97.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.418 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.21 -42.03 94.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.485 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -60.65 -37.26 93.18 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 73.5 t -62.14 -46.83 95.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.829 0.347 . . . . 0.0 110.582 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 56.2 mt -63.26 -48.18 88.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.235 0.54 . . . . 0.0 110.56 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 90.3 m -61.39 -36.16 79.51 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.578 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.55 -36.06 77.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.563 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.85 -43.2 97.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.622 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.84 -41.86 92.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.45 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.6 -37.98 76.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.529 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 94.9 mt -60.67 -41.91 89.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.867 0.365 . . . . 0.0 110.512 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 33.6 mm -56.42 -40.76 69.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.012 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 34.7 mm -61.83 -44.11 98.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.412 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 45.6 mm -62.9 -48.26 88.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 116' ' ' THR . 89.7 t -66.3 -43.73 91.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.266 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -60.37 -42.97 96.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.843 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -59.22 -44.37 92.3 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.735 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.3 m -85.36 -14.77 45.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.778 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 112' ' ' VAL . 11.6 m . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.999 -1.001 . . . . 0.0 111.026 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpp . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.3 p -66.11 -18.35 65.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.47 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.06 -37.86 88.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.548 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.1 m 42.35 90.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.636 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 6' ' ' ALA . . . -65.85 142.21 58.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.573 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 5' ' ' ALA . . . -59.92 -140.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.4 t -145.93 158.48 43.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.298 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 t -143.29 72.65 17.95 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.385 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.81 156.38 9.33 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.596 2.197 . . . . 0.0 112.147 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.66 155.14 69.84 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.617 2.212 . . . . 0.0 112.066 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.83 142.59 58.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.222 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -164.82 74.67 1.5 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.5 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -59.13 145.86 96.34 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.928 2.419 . . . . 0.0 111.964 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.57 144.36 55.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.241 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -143.64 -87.46 0.09 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 48.25 89.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.719 0.295 . . . . 0.0 110.436 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.88 -173.62 42.61 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.488 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 102.41 51.47 1.05 Allowed Glycine 0 N--CA 1.466 0.635 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 18' ' ' GLY . 22.4 Cg_endo -61.87 164.05 17.47 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 C-N-CA 122.607 2.205 . . . . 0.0 111.927 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -41.19 107.51 0.08 OUTLIER 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.339 2.026 . . . . 0.0 111.918 179.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.66 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . . . -76.04 -63.34 0.63 Allowed Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.807 179.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.66 ' CD ' ' HB3' ' A' ' 21' ' ' ALA . 15.0 Cg_endo -55.18 111.46 0.76 Allowed 'Trans proline' 0 C--N 1.318 -1.076 0 C-N-CA 122.31 2.007 . . . . 0.0 111.749 -178.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.514 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 31.9 Cg_exo -50.21 -42.35 47.18 Favored 'Trans proline' 0 N--CA 1.496 1.64 0 C-N-CA 122.121 1.88 . . . . 0.0 112.12 179.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 23' ' ' PRO . 31.3 Cg_exo -58.67 148.84 80.37 Favored 'Trans proline' 0 N--CA 1.489 1.249 0 C-N-CA 122.367 2.045 . . . . 0.0 112.183 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 55.61 79.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.841 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.4 mt -77.4 157.48 30.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.423 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.432 ' C ' ' H ' ' A' ' 29' ' ' ASN . 70.1 p -83.19 0.29 46.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.436 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 p 69.96 -6.68 1.04 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.598 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.432 ' H ' ' C ' ' A' ' 27' ' ' THR . 46.5 t30 52.63 52.25 14.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.675 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 29' ' ' ASN . 37.1 ttm180 60.82 133.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.497 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.548 ' C ' ' H ' ' A' ' 33' ' ' GLN . 95.5 mtt-85 -64.69 -37.15 86.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.697 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.4 mt -70.32 26.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.893 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.548 ' H ' ' C ' ' A' ' 31' ' ' ARG . 59.0 tt0 -63.59 -41.22 98.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.484 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -66.37 -33.5 75.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.709 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 83.1 m -61.4 -44.36 97.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.661 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -65.38 -31.52 72.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.683 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.08 -25.02 67.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.795 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -66.41 -42.51 87.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.776 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.9 m -81.49 -12.73 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.631 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -63.33 -37.95 89.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.547 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.58 -36.53 84.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.517 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.7 t -65.59 -42.49 93.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.567 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 77.5 t -60.47 -44.85 97.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.284 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -60.86 -44.18 97.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.573 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.94 -43.46 97.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-O 121.059 0.457 . . . . 0.0 110.372 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 49.0 ttp -65.24 -38.38 90.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.684 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.403 ' NH1' ' OD2' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -58.16 -47.71 82.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.057 -179.164 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.7 p -73.39 -26.27 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.747 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -61.97 -35.66 79.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.272 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.423 ' O ' HG12 ' A' ' 53' ' ' VAL . 88.0 t -64.1 -42.4 95.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.403 ' OD2' ' NH1' ' A' ' 47' ' ' ARG . 90.1 m-20 -65.59 -12.72 55.61 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.904 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -66.0 -24.96 66.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.344 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 50' ' ' VAL . 12.2 p -55.19 -28.61 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.478 -179.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' ' 55' ' ' GLU . 89.0 mt -63.01 -41.65 99.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.707 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 54' ' ' LEU . 7.0 tm-20 41.85 95.21 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.572 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.522 ' NH1' HE21 ' A' ' 58' ' ' GLN . 2.2 mmp_? -80.73 123.49 28.24 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.626 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -95.42 4.17 53.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.654 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.522 HE21 ' NH1' ' A' ' 56' ' ' ARG . 78.2 mt-30 -61.74 138.85 58.36 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.665 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.0 -41.89 99.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.609 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.0 tp -158.18 94.78 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.764 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 78.1 p -64.41 -35.28 80.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.978 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -172.38 -79.58 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.33 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.2 tp -133.91 111.28 10.33 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.591 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.466 ' CG ' ' H ' ' A' ' 65' ' ' ASP . 30.1 t70 -161.83 179.45 8.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.546 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.483 ' CG ' ' H ' ' A' ' 66' ' ' ARG . 66.7 t0 57.26 -122.89 1.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.656 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.513 ' C ' ' H ' ' A' ' 68' ' ' ASP . 99.7 mtt180 -63.1 -41.61 99.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.708 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 63.8 -5.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.809 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.513 ' H ' ' C ' ' A' ' 66' ' ' ARG . 94.3 m-20 -90.87 -1.34 57.85 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.494 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.22 87.37 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.397 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.589 HD23 ' N ' ' A' ' 71' ' ' GLN . 4.4 tt -119.24 116.26 25.9 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.819 0.343 . . . . 0.0 110.261 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.589 ' N ' HD23 ' A' ' 70' ' ' LEU . 53.3 mt-30 -64.74 130.54 43.92 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.448 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -155.91 16.82 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.513 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 167.79 -169.43 41.27 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.85 -40.17 94.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.735 0.302 . . . . 0.0 110.683 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.0 m -152.67 151.51 30.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.294 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.567 ' C ' ' H ' ' A' ' 78' ' ' GLU . 2.6 pm0 -138.32 152.28 48.34 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.259 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 56.63 -0.06 0.06 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.703 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.567 ' H ' ' C ' ' A' ' 76' ' ' GLN . 43.9 tp10 -66.17 -42.56 88.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.475 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.8 p -66.33 -35.65 80.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.607 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.7 m -62.03 -38.14 87.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.692 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.21 89.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.647 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.71 -41.53 81.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.384 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -63.03 -42.71 99.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.462 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.97 -42.08 97.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.707 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -59.78 -34.26 72.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.607 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -58.29 -39.73 80.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.654 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.91 -42.9 98.97 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.787 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -64.08 -41.19 97.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.788 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 36.4 t-105 -77.57 -53.35 7.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.929 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.0 t-105 -65.44 -40.79 93.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.787 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 67.4 mttm 56.11 -123.4 1.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.44 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 61.6 t30 61.53 34.44 17.93 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.764 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.532 HD12 ' N ' ' A' ' 93' ' ' LEU . 10.7 mp -67.29 -33.21 74.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.444 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -59.01 -40.13 83.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.523 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 36.7 ttm -61.69 -41.05 97.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.48 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 66.2 mtt -63.68 -41.29 98.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.533 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.27 -43.86 97.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.468 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.62 -43.18 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.21 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 53.8 tp -61.59 -41.92 98.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.53 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -59.01 -41.71 96.57 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.434 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 72.8 t -63.45 -46.91 93.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.798 0.332 . . . . 0.0 110.591 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 72.8 mt -62.21 -45.36 98.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.299 0.571 . . . . 0.0 110.381 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 68.7 m -57.28 -31.6 65.78 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.27 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -59.6 -39.27 83.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.54 ' N ' HD12 ' A' ' 105' ' ' ILE . 1.8 mp -63.87 -45.42 97.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.521 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.54 -42.18 94.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.426 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 5.4 tt -56.3 -39.02 72.05 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.914 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 94.4 mt -61.06 -41.71 90.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.391 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 31.8 mm -53.93 -37.53 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.512 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.11 -45.2 99.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.433 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.524 ' N ' HD12 ' A' ' 111' ' ' ILE . 1.4 mp -66.26 -44.54 91.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.825 0.345 . . . . 0.0 110.334 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 91.0 t -66.05 -43.53 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.2 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.576 ' O ' HG22 ' A' ' 116' ' ' THR . 92.1 t80 -60.44 -43.32 96.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.715 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -63.07 -42.87 99.76 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.779 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.3 m -73.47 -15.09 61.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.012 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 113' ' ' TYR . 8.6 t . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.899 -1.048 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptm . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m 46.66 -109.26 0.22 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.451 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.74 136.52 52.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.545 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -42.37 80.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.468 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -169.81 -6.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.504 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.03 87.85 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.589 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.4 m -64.22 -45.36 88.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.3 m -131.38 151.22 78.39 Favored Pre-proline 0 CA--C 1.531 0.218 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.671 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -37.18 155.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.635 2.224 . . . . 0.0 112.327 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.78 151.84 78.24 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.592 2.195 . . . . 0.0 112.016 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.44 10.05 2.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.528 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -164.97 72.84 1.47 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.078 0.466 . . . . 0.0 110.494 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -58.99 143.73 99.64 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.764 2.309 . . . . 0.0 112.073 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.21 -24.12 67.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.631 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 17' ' ' GLY . . . 93.09 8.6 61.45 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 53.3 -86.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 110.569 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 15' ' ' GLY . . . -61.88 -73.87 0.46 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 17' ' ' GLY . . . 53.54 168.34 0.03 OUTLIER Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.24 114.35 3.2 Favored 'Trans proline' 0 C--N 1.311 -1.421 0 C-N-CA 122.94 2.427 . . . . 0.0 111.866 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -50.57 -39.07 55.88 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 122.571 2.181 . . . . 0.0 112.034 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.505 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . 178.7 159.13 0.65 Allowed Pre-proline 0 N--CA 1.453 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.618 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.505 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 31.7 Cg_endo -64.68 164.22 24.77 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.568 2.178 . . . . 0.0 112.259 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.471 ' O ' ' O ' ' A' ' 22' ' ' PRO . 52.3 Cg_exo -44.57 -178.95 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.643 2.229 . . . . 0.0 112.27 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -61.75 146.68 96.48 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.582 2.188 . . . . 0.0 112.142 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 25' ' ' ASN . 50.0 p-10 -82.56 86.07 6.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.617 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.0 -41.97 99.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.67 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.0 p 51.55 -124.63 2.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.599 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.3 p -74.52 157.14 36.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.45 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -102.44 132.95 48.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.401 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -136.68 144.24 43.83 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.61 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.476 ' C ' ' H ' ' A' ' 33' ' ' GLN . 87.2 mtt-85 -65.01 -37.68 88.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.592 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.1 mt -74.77 27.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.686 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.476 ' H ' ' C ' ' A' ' 31' ' ' ARG . 57.5 tt0 -55.09 -40.61 70.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.545 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -61.21 -41.45 96.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.664 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.6 m -63.0 -44.19 96.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.704 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -57.06 -11.05 1.33 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.643 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.66 -41.46 81.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.532 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -65.55 -38.6 90.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.527 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.03 -22.42 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.649 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -62.62 -32.23 73.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.501 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -78.48 -34.39 47.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.697 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.0 t -61.92 -46.86 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.403 ' H ' HG22 ' A' ' 43' ' ' VAL . 10.7 m -59.61 -41.71 85.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.459 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -62.13 -42.59 99.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.379 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.89 -43.23 97.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.655 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 48.1 ttp -64.16 -39.31 93.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.417 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -58.24 -43.89 88.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.601 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 80.4 t -61.73 -43.94 97.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.543 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -60.32 -40.7 91.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.163 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.91 -42.35 88.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.162 0.506 . . . . 0.0 110.665 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -68.41 -20.95 64.69 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.486 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -66.98 -48.86 67.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.657 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 56' ' ' ARG . 7.6 p -74.94 -29.32 22.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.747 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.596 HD13 ' O ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -62.38 -43.89 97.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.687 -179.034 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -67.78 -46.78 71.02 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.232 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 53' ' ' VAL . 93.8 mtt180 -79.09 141.99 36.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.569 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 57' ' ' ASP . 53.6 p-10 -71.11 146.95 48.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.569 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.433 HE21 ' HB2' ' A' ' 60' ' ' LEU . 57.2 tt0 -60.97 113.32 2.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.492 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.33 -42.23 99.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.664 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' HB2' HE21 ' A' ' 58' ' ' GLN . 63.6 mt -65.55 -173.34 0.15 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.464 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.2 t 55.23 81.57 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.441 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -174.01 -29.25 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.666 ' H ' HD23 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -63.93 -40.57 96.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.245 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -65.11 -33.31 75.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.407 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.524 ' CG ' ' H ' ' A' ' 66' ' ' ARG . 24.6 t0 62.57 -168.54 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.53 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.524 ' H ' ' CG ' ' A' ' 65' ' ' ASP . 57.1 ttp180 -66.08 -19.57 65.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.618 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.491 ' C ' ' H ' ' A' ' 69' ' ' ALA . . . -61.12 -33.06 72.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.41 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 55.72 5.1 0.13 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.571 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.491 ' H ' ' C ' ' A' ' 67' ' ' ALA . . . 52.01 89.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.83 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.55 HD22 ' N ' ' A' ' 70' ' ' LEU . 4.0 mm? -77.79 143.13 38.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.726 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.426 ' HG2' ' H ' ' A' ' 73' ' ' GLY . 58.8 tt0 55.5 -87.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.33 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 44.89 43.2 6.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.426 ' H ' ' HG2' ' A' ' 71' ' ' GLN . . . -71.77 -91.12 0.1 OUTLIER Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.2 88.4 7.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.483 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 81.1 p -164.72 50.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.744 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.404 ' O ' ' OG1' ' A' ' 79' ' ' THR . 99.4 mm-40 -83.0 -4.5 58.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.599 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -60.04 -46.07 90.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.643 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -69.61 -35.19 75.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.663 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 76' ' ' GLN . 73.1 p -65.68 -33.39 75.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.694 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 95.1 p -59.99 -34.34 73.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.569 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.31 -36.1 82.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.614 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.68 -35.76 77.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.582 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -59.14 -45.75 90.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.596 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.534 ' N ' HD12 ' A' ' 84' ' ' LEU . 10.6 mp -63.02 -41.83 99.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.551 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.39 -40.36 97.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.38 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -59.84 -45.1 93.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -64.67 -40.44 95.42 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.807 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -60.7 -45.05 95.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.35 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.523 ' CG ' ' O ' ' A' ' 89' ' ' TRP . 42.1 p-90 -147.28 119.13 8.1 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.451 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.418 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 67.2 t-105 -177.1 -94.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.484 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.47 ' C ' ' H ' ' A' ' 93' ' ' LEU . 25.4 ttpp -63.61 -33.26 75.23 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.518 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -74.8 18.45 0.17 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.522 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.47 ' H ' ' C ' ' A' ' 91' ' ' LYS . 48.7 tp -63.57 -43.01 98.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.675 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -59.58 -34.11 72.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.347 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 97.5 mmm -61.97 -32.42 72.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.45 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 60.7 mtt -65.92 -41.32 91.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.676 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.55 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.8 mp -60.52 -52.28 63.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.763 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.459 HG23 ' N ' ' A' ' 99' ' ' LEU . 13.9 tt -69.34 -40.67 80.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.388 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.459 ' N ' HG23 ' A' ' 98' ' ' ILE . 57.5 tp -62.68 -41.56 99.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.504 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -60.13 -40.38 97.1 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.58 -47.29 93.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.334 . . . . 0.0 110.661 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 60.9 mt -62.36 -49.12 85.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.144 0.497 . . . . 0.0 110.777 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.578 ' SG ' ' N ' ' A' ' 104' ' ' ALA . 6.1 p -60.37 -42.61 96.17 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.691 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.578 ' N ' ' SG ' ' A' ' 103' ' ' CYS . . . -53.12 -37.31 61.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.52 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.17 -42.79 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.425 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.05 -41.49 89.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.404 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.5 mp -59.37 -37.86 79.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.704 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 92.8 mt -61.62 -43.22 96.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.121 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.8 mm -63.54 -43.44 98.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.472 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.1 -43.45 98.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.254 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.44 -44.01 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.696 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.32 -43.43 87.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.336 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -60.45 -42.59 96.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.769 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -59.16 -44.57 92.13 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.579 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.7 t -62.77 -42.24 99.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.594 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--N 1.326 -0.43 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.847 -179.946 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 ptp . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m -60.48 -41.79 94.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.529 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.37 142.1 57.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.5 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.6 p -87.93 134.87 33.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.507 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.72 150.99 26.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.472 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -159.51 45.79 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.564 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.2 m -120.78 127.95 52.44 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.053 0.454 . . . . 0.0 110.564 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.451 HG22 ' H ' ' A' ' 8' ' ' VAL . 3.1 m -71.1 149.84 94.63 Favored Pre-proline 0 N--CA 1.45 -0.462 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.62 -179.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 8' ' ' VAL . 74.0 Cg_exo -38.16 165.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.804 2.336 . . . . 0.0 112.546 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 11' ' ' ALA . 52.2 Cg_exo -50.68 -39.34 56.79 Favored 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 122.482 2.121 . . . . 0.0 112.177 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 10' ' ' PRO . . . 59.52 145.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.962 0.41 . . . . 0.0 110.578 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -161.58 73.39 2.48 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.45 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -59.98 145.41 98.42 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.84 2.36 . . . . 0.0 111.867 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.7 142.8 46.26 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.483 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.35 136.51 3.7 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -84.55 142.24 30.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.602 0.239 . . . . 0.0 110.362 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -113.2 -169.43 17.3 Favored Glycine 0 N--CA 1.467 0.72 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.06 165.71 15.61 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.31 111.79 0.97 Allowed 'Trans proline' 0 C--N 1.313 -1.293 0 C-N-CA 122.887 2.391 . . . . 0.0 111.794 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -50.47 117.64 3.39 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 122.367 2.044 . . . . 0.0 112.205 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 44.39 79.42 0.34 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -80.23 161.97 22.94 Favored 'Trans proline' 0 C--N 1.313 -1.338 0 C-N-CA 122.67 2.247 . . . . 0.0 112.167 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -40.62 155.83 0.05 OUTLIER 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 122.633 2.222 . . . . 0.0 112.288 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.68 -19.68 53.52 Favored 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.741 2.294 . . . . 0.0 111.922 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -67.66 148.46 51.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.518 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.8 mt -86.44 -6.55 58.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.42 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.5 m -62.59 -45.71 91.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.486 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.2 p -75.56 162.04 28.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.545 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 54.9 48.26 20.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.623 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -61.8 -16.96 54.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.46 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -56.45 -21.93 28.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.36 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 74.3 mt -63.39 -39.24 93.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.684 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.443 ' N ' ' OE1' ' A' ' 38' ' ' GLN . 72.9 tp60 -57.53 -30.19 64.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.426 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -64.41 -37.09 86.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.683 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.06 171.18 14.67 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.014 0.435 . . . . 0.0 110.376 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -95.17 -11.04 28.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.777 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.97 -36.49 84.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.043 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.443 ' OE1' ' N ' ' A' ' 33' ' ' GLN . 55.5 tt0 -60.43 -53.07 61.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.502 ' O ' HG12 ' A' ' 42' ' ' VAL . 29.4 m -69.61 -26.01 29.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.718 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.415 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 66.8 t0 -63.38 -33.82 76.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.629 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -51.57 -19.9 1.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.617 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.502 HG12 ' O ' ' A' ' 39' ' ' VAL . 9.9 p -57.46 -27.59 29.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.477 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.581 HG13 ' N ' ' A' ' 44' ' ' ASP . 7.4 p -60.26 -45.12 96.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.098 0.475 . . . . 0.0 110.638 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.581 ' N ' HG13 ' A' ' 43' ' ' VAL . 48.8 t0 -61.97 -36.35 81.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.4 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.6 mm -62.37 -43.28 97.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.595 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 83.9 mmm -61.76 -39.25 90.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.798 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -61.01 -41.07 95.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.556 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.96 -42.68 96.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -59.35 -40.31 85.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.292 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.0 t -63.83 -39.78 86.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.719 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.85 -38.6 82.59 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.71 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.14 -35.27 80.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.945 0.403 . . . . 0.0 110.434 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 57' ' ' ASP . 91.0 t -63.36 -40.6 89.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.636 -179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 71.4 mt -72.22 -6.8 45.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -95.48 -91.37 0.22 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.676 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 89.2 mtm-85 -56.48 -100.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.844 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 53' ' ' VAL . 26.5 t0 -78.46 114.92 17.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.423 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -62.81 -45.88 90.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.665 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -172.41 -94.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.549 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.09 -41.59 99.44 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.529 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t 169.11 -78.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.536 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -164.74 -97.24 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.488 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.498 ' C ' ' H ' ' A' ' 65' ' ' ASP . 57.2 mt -62.73 -39.7 94.9 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.492 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 66' ' ' ARG . 45.7 t0 58.14 3.57 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.647 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.498 ' H ' ' C ' ' A' ' 63' ' ' LEU . 97.9 m-20 53.04 12.65 0.31 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.639 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.408 ' N ' ' C ' ' A' ' 64' ' ' ASP . 76.7 mmt-85 -132.8 -171.85 2.77 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.745 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 63.05 121.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.558 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.579 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 92.6 m-20 -62.39 -40.98 98.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.647 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 68' ' ' ASP . . . 75.78 -29.68 0.19 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.403 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.48 ' H ' ' C ' ' A' ' 68' ' ' ASP . 57.8 mt -62.85 -39.53 94.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.675 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 42.5 -95.51 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.457 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . -75.61 127.66 33.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.471 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.39 -37.69 94.8 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.84 148.5 13.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.726 0.298 . . . . 0.0 110.504 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.2 p -67.54 159.21 30.22 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.508 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.576 ' C ' ' H ' ' A' ' 78' ' ' GLU . 70.6 tp60 -144.86 147.31 32.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.15 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.7 t80 67.1 -19.34 0.12 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.712 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.576 ' H ' ' C ' ' A' ' 76' ' ' GLN . 80.7 mm-40 -65.26 -21.34 66.72 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.497 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 31.1 p -62.59 -41.63 99.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.593 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.4 t -60.98 -43.74 98.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.554 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.82 -37.5 87.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.759 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.78 -32.64 70.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.358 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -61.56 -45.07 95.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.556 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 84' ' ' LEU . 10.4 mp -63.02 -42.28 99.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.395 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -62.54 -43.67 98.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.725 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -64.7 -38.94 92.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.541 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.28 -43.28 99.18 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.901 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.441 ' O ' ' O ' ' A' ' 89' ' ' TRP . 88.8 t80 -81.75 129.32 34.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.339 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.441 ' O ' ' O ' ' A' ' 88' ' ' TYR . 63.3 t-105 47.69 100.83 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -82.66 137.01 34.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.418 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.29 142.88 27.91 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.409 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -93.12 -4.03 52.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.527 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.8 mt -62.91 -40.74 98.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.388 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -62.0 -40.34 95.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.569 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 4.0 mmt -63.33 -36.13 82.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.451 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 37.8 tpp -59.48 -39.18 82.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.3 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 35.4 mm -62.52 -43.58 98.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.409 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 35.4 mm -63.63 -43.68 98.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.444 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.34 -39.6 91.17 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.644 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -59.88 -33.19 77.4 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.415 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 91.4 t -61.91 -47.64 92.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.92 0.391 . . . . 0.0 110.622 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.549 HD12 ' N ' ' A' ' 102' ' ' ILE . 1.5 mp -62.67 -45.59 98.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.439 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.8 p -60.68 -30.88 70.2 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.579 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -55.27 -46.34 76.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.434 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.579 ' N ' HD12 ' A' ' 105' ' ' ILE . 1.7 mp -63.02 -43.84 99.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.4 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 27.3 mm -58.16 -30.86 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.26 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 86.8 mt -83.13 -44.37 15.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.807 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.14 -44.05 97.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.756 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.471 HG23 ' N ' ' A' ' 110' ' ' ILE . 20.6 tt -63.18 -39.68 86.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.59 -179.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.471 ' N ' HG23 ' A' ' 109' ' ' ILE . 3.9 mm -62.73 -44.35 99.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.463 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.9 mm -65.49 -43.83 94.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.479 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 92.2 t -70.79 -26.0 27.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.597 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.08 -44.92 94.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.794 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -62.81 -36.96 84.89 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.748 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.9 t -71.07 -20.51 62.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.714 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.628 -179.833 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.3 ttm . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m 53.26 86.21 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.528 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -156.52 151.8 26.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.513 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.0 p -82.09 167.41 18.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.445 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.35 151.64 29.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.963 0.411 . . . . 0.0 110.35 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.58 166.44 17.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.2 t -146.41 155.53 42.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.259 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.6 t -145.46 72.13 14.22 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.303 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -78.65 165.33 24.98 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.245 1.963 . . . . 0.0 112.357 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -51.0 139.37 41.91 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.366 2.044 . . . . 0.0 112.086 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.07 -142.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.458 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.37 73.48 3.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.413 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -58.95 144.59 99.04 Favored 'Trans proline' 0 C--N 1.307 -1.639 0 C-N-CA 122.916 2.411 . . . . 0.0 111.967 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.82 19.3 2.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.35 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.46 109.38 2.7 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -120.72 139.35 53.19 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.941 0.4 . . . . 0.0 110.461 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.53 -170.48 42.24 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -156.18 73.36 0.24 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -53.49 156.11 11.8 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.661 2.241 . . . . 0.0 112.04 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.44 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 41.7 Cg_endo -66.94 146.41 77.55 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.67 2.247 . . . . 0.0 111.9 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 20' ' ' PRO . . . 175.67 71.36 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.271 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.0 157.11 17.68 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.635 2.223 . . . . 0.0 112.114 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.82 162.08 41.13 Favored 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.458 2.105 . . . . 0.0 112.013 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -63.46 -24.52 70.77 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.877 2.384 . . . . 0.0 111.901 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.4 t30 58.11 52.22 7.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.728 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.09 -40.66 98.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.555 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.9 m 57.9 157.11 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.645 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.8 t -74.92 -4.14 36.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.58 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 59.94 82.27 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.542 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -67.04 143.81 56.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.972 0.415 . . . . 0.0 110.216 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 92.5 mtm-85 -93.55 2.86 56.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.552 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.424 ' O ' ' OG1' ' A' ' 35' ' ' THR . 55.1 mt -63.0 -40.92 99.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.582 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -62.17 -41.17 98.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.537 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.441 ' O ' ' O ' ' A' ' 35' ' ' THR . 87.1 mt-30 -64.36 -40.4 95.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.977 HG22 ' H ' ' A' ' 36' ' ' GLN . 12.5 m 43.51 -172.53 0.01 OUTLIER 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.49 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.977 ' H ' HG22 ' A' ' 35' ' ' THR . 98.7 mm-40 -82.26 -11.28 58.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.59 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.1 -26.19 36.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.456 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -61.56 -41.87 98.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.437 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.9 t -63.71 -45.19 98.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.49 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -64.93 -35.37 80.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -57.7 -33.95 68.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.415 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.3 t -63.9 -43.24 97.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.523 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 92.1 t -60.03 -43.5 92.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.329 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.37 -41.82 97.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.502 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.9 -44.05 97.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.548 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 95.9 mmm -65.7 -38.13 88.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.685 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -60.49 -43.09 97.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.401 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.15 -43.74 98.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.454 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 27.5 t-20 -59.18 -40.56 86.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.182 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.426 ' O ' HG12 ' A' ' 53' ' ' VAL . 78.8 t -66.08 -41.94 90.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.8 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.54 -9.15 1.49 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.818 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 49' ' ' ASN . 30.4 mmtp -62.87 -30.91 71.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.366 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.426 HG12 ' O ' ' A' ' 50' ' ' VAL . 13.0 p -60.09 -32.28 49.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.998 0.427 . . . . 0.0 110.548 -179.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.3 tp -62.83 -39.54 94.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.954 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -40.07 -85.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.629 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.426 ' O ' ' OD1' ' A' ' 57' ' ' ASP . 30.5 mmt180 -72.64 -92.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.594 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 56' ' ' ARG . 72.1 m-20 -154.28 176.44 12.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.357 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -54.41 158.24 2.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.644 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -62.55 -41.23 98.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.657 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.557 HD12 ' N ' ' A' ' 61' ' ' SER . 0.3 OUTLIER -159.7 -0.45 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.331 -179.711 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.557 ' N ' HD12 ' A' ' 60' ' ' LEU . 2.6 m -89.63 47.46 1.47 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.903 0.382 . . . . 0.0 110.609 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.43 -37.52 87.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.695 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.1 mt -87.43 25.56 1.4 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.565 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 37.4 p-10 -61.99 -38.91 90.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.594 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.521 ' N ' ' OD1' ' A' ' 64' ' ' ASP . 56.5 t0 -66.89 -11.52 56.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.486 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 60.28 69.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.529 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.26 143.04 57.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.597 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.547 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 99.3 m-20 -61.81 -42.72 99.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.553 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 68' ' ' ASP . . . 72.84 -4.78 2.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.62 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 75.0 mt -86.04 82.45 8.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.377 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -173.64 -52.68 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.671 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.12 -38.72 92.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.653 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 55.71 82.88 0.05 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 61.83 134.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.852 0.358 . . . . 0.0 110.551 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.525 ' C ' ' H ' ' A' ' 77' ' ' PHE . 18.6 m -158.74 159.9 35.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.638 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.51 ' C ' ' H ' ' A' ' 78' ' ' GLU . 44.6 tt0 57.7 1.14 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.265 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.525 ' H ' ' C ' ' A' ' 75' ' ' SER . 97.0 m-85 56.23 3.8 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.649 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.51 ' H ' ' C ' ' A' ' 76' ' ' GLN . 17.2 pt-20 -51.64 -18.89 1.31 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.512 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.417 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 31.3 p -65.3 -39.33 92.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.0 m -60.91 -42.51 98.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.649 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.97 -25.89 68.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.667 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 79' ' ' THR . . . -60.54 -35.44 76.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.389 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -61.0 -47.09 88.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.425 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 56.0 mt -64.04 -40.19 95.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.469 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -63.96 -36.8 85.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.779 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -58.79 -33.83 70.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.859 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 63.9 mttp -59.56 -42.7 93.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.37 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -74.81 -44.38 49.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.77 0.319 . . . . 0.0 110.718 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -66.21 -50.76 62.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.074 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -60.42 -44.24 95.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.289 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 87' ' ' LYS . 70.2 mmtt -77.05 151.84 35.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.498 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -90.51 10.8 23.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.371 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.76 -41.14 99.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.287 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -47.69 -26.55 1.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.782 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 96.9 mmm -63.34 -41.9 98.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -64.3 -41.39 96.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.53 -44.11 98.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.439 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.9 mm -63.57 -42.95 97.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.324 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.28 -41.36 96.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.427 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.3 -36.15 92.02 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 73.9 t -62.2 -46.48 96.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.764 0.316 . . . . 0.0 110.566 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 59.7 mt -62.7 -48.65 87.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.129 0.49 . . . . 0.0 110.7 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 98.8 m -62.54 -35.83 80.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.678 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.52 -36.64 78.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.528 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.55 -42.56 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.615 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.1 mm -59.23 -38.96 77.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.057 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.3 tp -58.17 -42.44 86.02 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.46 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.9 mm -63.64 -43.85 98.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.803 0.335 . . . . 0.0 110.402 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.41 -43.66 98.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.324 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.09 -43.41 98.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.397 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.9 mm -63.82 -44.14 98.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.484 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 70.1 t -67.41 -43.15 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.325 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -59.62 -44.75 93.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.749 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -60.67 -45.48 93.96 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.694 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 116' ' ' THR . 86.6 p -79.67 -8.81 59.45 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.846 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 115' ' ' SER . 4.3 t . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.899 -1.048 . . . . 0.0 111.586 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.1 ttp . . . . . 0 N--CA 1.492 1.65 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 t -66.84 139.8 57.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.521 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.75 142.85 57.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.393 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.3 128.55 53.52 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.358 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.82 -107.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.456 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -156.94 152.15 26.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.176 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 97.9 m -124.37 128.0 48.42 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.371 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.6 t -80.9 119.17 75.32 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.716 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -75.47 166.18 29.13 Favored 'Trans proline' 0 N--CA 1.488 1.189 0 C-N-CA 122.042 1.828 . . . . 0.0 112.509 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.12 140.42 50.66 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 122.293 1.995 . . . . 0.0 112.112 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.19 90.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.443 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 46.94 57.53 17.39 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.593 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.77 154.96 63.47 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.702 2.268 . . . . 0.0 112.089 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 61.18 116.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.639 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -171.44 171.98 44.29 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -154.51 119.73 5.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.798 0.332 . . . . 0.0 110.367 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.99 174.12 50.95 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 43.69 73.67 0.24 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -53.63 156.83 10.83 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.638 2.225 . . . . 0.0 112.098 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.425 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 49.2 Cg_endo -69.48 158.08 58.61 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.666 2.244 . . . . 0.0 111.928 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 20' ' ' PRO . . . 66.87 73.24 0.39 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.457 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -44.72 106.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.306 2.004 . . . . 0.0 111.544 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.505 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 32.2 Cg_exo -52.15 -44.21 47.58 Favored 'Trans proline' 0 N--CA 1.491 1.363 0 C-N-CA 122.349 2.032 . . . . 0.0 112.163 178.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 23' ' ' PRO . 61.1 Cg_endo -79.59 -10.64 14.46 Favored 'Trans proline' 0 N--CA 1.489 1.207 0 C-N-CA 122.347 2.031 . . . . 0.0 112.233 -179.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 24' ' ' PRO . 60.5 t-20 48.85 97.78 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.523 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.2 -41.03 99.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.434 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.0 m -78.49 122.71 26.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.244 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.9 m -99.01 -176.94 3.47 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.343 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.482 ' C ' ' H ' ' A' ' 31' ' ' ARG . 99.4 m-20 -86.5 30.9 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.522 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -70.23 40.92 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.655 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.513 ' C ' ' H ' ' A' ' 33' ' ' GLN . 89.4 mtm180 -85.52 6.52 26.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.707 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.1 mt -73.36 29.51 0.07 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.639 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.513 ' H ' ' C ' ' A' ' 31' ' ' ARG . 83.9 mt-30 -61.13 -30.93 70.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.233 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.594 ' O ' ' N ' ' A' ' 36' ' ' GLN . 84.0 mt-30 -60.92 -40.35 92.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.952 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.415 ' C ' ' N ' ' A' ' 37' ' ' ALA . 20.0 m 56.33 -70.37 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.185 0 O-C-N 123.617 0.573 . . . . 0.0 110.777 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.594 ' N ' ' O ' ' A' ' 34' ' ' GLN . 88.9 mt-30 -50.45 -15.87 0.3 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.984 0.421 . . . . 0.0 110.326 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 35' ' ' THR . . . -68.14 -29.43 68.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.514 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -65.33 -53.4 44.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.002 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.1 p -67.06 -25.87 35.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.56 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -63.16 -35.97 82.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.668 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -57.01 -24.25 52.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.647 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.0 t -61.05 -22.18 26.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.512 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.68 -43.65 97.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.555 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -57.84 -42.43 84.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.3 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.67 HD12 ' N ' ' A' ' 45' ' ' ILE . 1.9 mp -63.32 -43.39 98.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.535 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 83.7 mtp -61.42 -39.58 91.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.422 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.65 -39.55 94.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.599 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.9 t -64.05 -40.47 89.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.505 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.453 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 47.7 t-20 -56.55 -39.96 74.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.426 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 84.7 t -64.61 -39.16 84.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.15 0.5 . . . . 0.0 110.591 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -61.7 -9.29 5.98 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.886 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 49' ' ' ASN . 30.0 mmtp -63.98 -17.63 63.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.011 0.434 . . . . 0.0 110.436 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.539 HG23 ' N ' ' A' ' 54' ' ' LEU . 33.5 m -64.12 -44.2 97.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.553 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.539 ' N ' HG23 ' A' ' 53' ' ' VAL . 63.2 tp -62.89 -43.44 98.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.541 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -163.1 138.03 6.49 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.728 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -65.86 -40.98 92.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.708 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 49.78 54.45 11.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.621 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -55.96 115.39 2.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.618 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.566 ' C ' ' H ' ' A' ' 61' ' ' SER . 44.4 mmtm -63.89 -43.99 94.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.539 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 tp 69.0 -18.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.789 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.566 ' H ' ' C ' ' A' ' 59' ' ' LYS . 58.7 m -61.48 -38.35 86.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.718 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -57.15 -46.57 82.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.788 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.7 mt -63.42 -41.62 98.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.511 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -73.1 143.33 47.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.32 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 66' ' ' ARG . 50.1 p30 -140.67 -123.08 0.11 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.43 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.52 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 84.8 mtt85 -62.78 -36.81 84.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.458 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.23 141.78 45.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.417 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.0 p-10 -154.45 45.54 0.55 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.625 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.03 53.77 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.608 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.562 HD22 ' N ' ' A' ' 70' ' ' LEU . 3.7 mm? -81.82 131.75 35.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.056 0.455 . . . . 0.0 110.586 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -62.72 -40.66 97.88 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.471 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -165.32 -7.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.29 7.1 88.7 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 43.5 42.43 3.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.75 0.309 . . . . 0.0 110.515 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 42.3 t -63.89 132.54 51.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.478 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -102.75 -18.62 15.07 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.542 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -67.69 -37.67 82.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.928 0.394 . . . . 0.0 110.671 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -55.64 -20.84 15.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.737 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.6 p -62.08 -44.77 95.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.625 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.5 m -61.96 -43.45 98.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.703 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.42 -36.62 84.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.739 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.55 -36.71 69.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.403 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -62.03 -48.27 81.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.866 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.55 ' N ' HD12 ' A' ' 84' ' ' LEU . 10.5 mp -66.39 -39.5 89.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.278 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -60.92 -29.52 69.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.583 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -58.31 -44.52 88.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.756 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.461 ' C ' ' H ' ' A' ' 89' ' ' TRP . 43.6 mmtm -101.43 -49.85 3.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.665 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.52 ' O ' ' CD2' ' A' ' 88' ' ' TYR . 63.8 t80 50.92 10.54 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.544 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.461 ' H ' ' C ' ' A' ' 87' ' ' LYS . 6.8 t90 -152.3 -68.52 0.16 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.637 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.48 ' O ' ' O ' ' A' ' 91' ' ' LYS . 94.5 m95 -60.47 -49.15 78.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.675 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.48 ' O ' ' O ' ' A' ' 90' ' ' TRP . 10.0 mtpm? 49.1 106.76 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 121.051 0.453 . . . . 0.0 110.806 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 92' ' ' ASN . 10.3 p-10 -63.2 -22.5 66.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.704 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 93' ' ' LEU . 11.0 mp -67.25 -31.08 71.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.471 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -57.25 -41.88 80.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.512 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 70.0 mtm -64.74 -40.0 94.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.566 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 91.2 mtp -63.82 -41.41 97.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.506 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.77 -43.63 98.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.401 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.19 -42.27 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.215 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 48.5 tp -59.31 -40.45 86.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.462 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -60.92 -33.47 83.7 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.92 -43.92 96.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.826 0.346 . . . . 0.0 110.736 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 15.2 mm -63.64 -44.86 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.476 0.655 . . . . 0.0 110.662 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.576 ' SG ' ' N ' ' A' ' 104' ' ' ALA . 8.5 p -63.35 -44.06 95.93 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.554 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.576 ' N ' ' SG ' ' A' ' 103' ' ' CYS . . . -53.05 -36.27 60.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.705 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.11 -42.02 94.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.216 0.531 . . . . 0.0 110.271 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.46 -41.93 94.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.14 -47.9 83.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.729 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 22.1 pt -65.17 -38.63 83.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.338 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 74.5 mt -63.13 -43.59 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.481 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.22 -42.9 98.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.332 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.39 -44.24 99.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.495 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.53 -43.05 87.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.204 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -60.28 -41.45 93.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.791 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -59.9 -44.48 94.23 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.72 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.3 m -69.02 -34.31 75.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.566 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.6 m . . . . . 0 C--N 1.323 -0.576 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.687 -179.829 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.4 ptt? . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 3' ' ' ALA . 61.2 m -60.04 -42.34 94.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 2' ' ' SER . . . -59.52 -144.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.45 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 62.1 p -135.87 156.8 48.23 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.574 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.87 142.33 53.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.478 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -157.17 132.44 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.371 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 95.4 m -127.01 129.47 48.14 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.185 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.441 HG22 ' H ' ' A' ' 8' ' ' VAL . 2.2 m -60.53 150.85 72.75 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.476 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.11 167.38 18.26 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.178 1.918 . . . . 0.0 112.402 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -51.95 140.97 47.82 Favored 'Trans proline' 0 N--CA 1.498 1.755 0 C-N-CA 122.17 1.913 . . . . 0.0 112.038 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.84 88.9 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.393 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.639 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . 60.56 178.49 0.04 OUTLIER Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.619 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.639 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 39.4 Cg_exo -60.3 144.07 99.5 Favored 'Trans proline' 0 N--CA 1.5 1.872 0 C-N-CA 122.454 2.103 . . . . 0.0 111.959 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.72 141.17 48.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.066 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.27 98.58 2.28 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -154.69 139.25 16.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.784 0.326 . . . . 0.0 110.32 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 161.13 -174.57 37.74 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.58 73.28 0.1 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.464 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 24.1 Cg_exo -60.61 -173.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.742 2.295 . . . . 0.0 111.972 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 19' ' ' PRO . 28.0 Cg_exo -61.49 146.65 96.85 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 C-N-CA 122.711 2.274 . . . . 0.0 111.761 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.43 ' N ' ' CD ' ' A' ' 22' ' ' PRO . . . -159.83 54.9 0.67 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.182 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 38.4 Cg_endo -67.46 161.3 43.93 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 122.642 2.228 . . . . 0.0 112.101 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.9 119.65 6.69 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.407 2.072 . . . . 0.0 111.73 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -49.33 -39.36 43.66 Favored 'Trans proline' 0 N--CA 1.5 1.883 0 C-N-CA 122.058 1.838 . . . . 0.0 112.313 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 25' ' ' ASN . 15.3 p30 -87.15 123.82 32.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.495 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.6 tp -106.4 125.41 50.96 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.022 0.439 . . . . 0.0 110.271 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.3 p -84.43 168.03 15.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.459 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 29' ' ' ASN . 73.6 m -59.59 -39.35 83.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.684 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' A' ' 28' ' ' SER . 78.5 m-20 57.81 117.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.612 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 53.96 68.13 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.443 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.447 ' C ' ' H ' ' A' ' 33' ' ' GLN . 84.5 mtt85 -64.29 -37.3 87.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.828 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.599 ' H ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -75.33 20.62 0.15 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.301 -179.376 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.447 ' H ' ' C ' ' A' ' 31' ' ' ARG . 25.6 pt20 -56.4 -9.46 0.7 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.872 0.368 . . . . 0.0 110.516 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -61.58 -28.06 69.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.627 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 89.7 m -62.1 -45.17 94.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.815 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -62.89 -32.33 73.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.5 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.94 -27.38 66.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.605 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -62.63 -25.97 68.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.45 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 86.1 t -63.8 -25.68 38.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.489 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -82.32 -20.66 36.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.484 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -71.12 -40.54 71.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.047 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.435 HG22 ' H ' ' A' ' 42' ' ' VAL . 11.0 m -65.85 -20.34 27.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-O 120.828 0.347 . . . . 0.0 110.818 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.2 t -62.12 -43.1 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.415 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -60.36 -39.99 89.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.589 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.595 HD12 ' N ' ' A' ' 45' ' ' ILE . 1.7 mp -63.96 -44.6 97.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.125 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 48.2 mtt -62.41 -38.92 91.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.485 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -58.25 -43.02 87.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.601 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.0 t -63.09 -43.43 98.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -61.25 -41.17 96.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.064 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.456 ' O ' HG12 ' A' ' 53' ' ' VAL . 82.5 t -67.66 -41.04 85.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.84 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -53.91 -10.03 0.29 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.681 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.427 ' H ' ' C ' ' A' ' 50' ' ' VAL . 57.4 mtpt -74.91 -13.7 60.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.38 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.528 ' C ' ' H ' ' A' ' 55' ' ' GLU . 13.2 p -63.46 -9.03 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.485 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.409 HD22 HG13 ' A' ' 53' ' ' VAL . 4.2 mm? -71.95 26.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.4 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.528 ' H ' ' C ' ' A' ' 53' ' ' VAL . 80.4 mm-40 -46.06 154.79 0.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.198 179.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -133.59 152.49 51.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.273 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -78.77 108.96 12.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.383 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -81.3 142.27 33.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.742 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.58 -43.56 98.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.227 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -160.3 -72.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.43 179.614 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.7 m 41.73 75.45 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.768 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -171.84 87.15 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.351 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.7 mt 42.23 77.73 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.558 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -60.95 -51.08 70.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.813 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 55.1 p-10 -147.55 7.26 0.86 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.48 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -63.34 -43.06 98.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.401 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.04 -12.88 60.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.577 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 56.2 t0 58.18 35.16 24.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.481 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.56 119.41 1.69 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.27 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.506 ' H ' HD23 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -90.34 -4.38 57.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.381 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 53.85 -176.43 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.445 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -150.31 151.84 33.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.453 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 174.05 -90.3 0.08 OUTLIER Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 57.13 95.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.362 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.4 p -154.35 88.17 1.21 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.703 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -81.62 -10.38 59.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.6 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -60.72 -45.56 93.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.688 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -62.52 -44.48 96.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.516 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 58.9 p -67.31 -34.26 76.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.652 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.8 t -61.64 -43.34 99.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.597 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.32 -38.12 89.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.731 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.61 95.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.644 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -63.39 -41.78 98.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.373 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.32 -43.31 99.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.266 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -62.73 -42.54 99.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.765 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -61.59 -33.41 73.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.842 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.44 -44.46 72.51 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.523 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.476 ' O ' ' CG ' ' A' ' 89' ' ' TRP . 75.8 m-85 -61.14 -64.08 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.62 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.476 ' CG ' ' O ' ' A' ' 88' ' ' TYR . 99.1 m95 -157.69 -112.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.571 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.491 ' O ' ' CE3' ' A' ' 90' ' ' TRP . 79.0 t90 -155.54 69.32 0.68 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.478 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -79.71 142.5 35.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.582 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -168.56 -78.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.726 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 79.6 mt -83.8 -4.88 59.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.606 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -62.51 -38.55 90.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.268 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 96.4 mmm -62.3 -38.26 88.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.544 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 67.3 mtt -60.67 -35.49 76.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.419 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 61.5 mt -62.17 -41.85 92.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.492 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 32.1 mm -57.3 -46.79 85.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.374 -178.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.47 ' N ' HD12 ' A' ' 99' ' ' LEU . 10.9 mp -63.31 -40.51 97.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 110.369 179.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.36 -36.62 92.77 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.96 -47.15 91.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.805 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 60.1 mt -62.1 -48.16 89.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.321 0.581 . . . . 0.0 110.963 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 104' ' ' ALA . 5.5 p -57.4 -37.12 72.21 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.401 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.455 ' N ' ' SG ' ' A' ' 103' ' ' CYS . . . -58.29 -34.26 70.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.638 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 20.1 mm -63.64 -43.37 98.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.711 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.9 mm -56.0 -37.7 49.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.32 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 57.2 mt -60.99 -37.06 81.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.427 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 61.5 mt -57.09 -41.5 77.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.448 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.561 ' N ' HD12 ' A' ' 109' ' ' ILE . 1.8 mp -60.43 -41.22 86.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.003 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 33.9 mm -61.15 -44.64 98.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.457 -178.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 44.3 mm -63.69 -47.57 90.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.332 . . . . 0.0 110.864 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.439 ' O ' ' OG1' ' A' ' 116' ' ' THR . 85.6 t -66.07 -43.43 92.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.237 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -60.03 -43.95 94.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.793 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -60.29 -44.11 95.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.823 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 77.7 p -71.05 -22.12 62.17 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.603 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 112' ' ' VAL . 6.4 m . . . . . 0 C--N 1.324 -0.526 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.616 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.4 mtp . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.7 p -67.3 -18.58 65.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.66 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.16 153.61 31.03 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.5 p -80.86 166.95 20.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.437 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.85 174.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.516 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 52.16 37.4 21.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.593 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.5 t -70.36 -35.99 73.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.262 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.8 m -43.46 150.86 0.49 Allowed Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.754 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.08 165.15 25.01 Favored 'Trans proline' 0 C--N 1.31 -1.457 0 C-N-CA 122.31 2.007 . . . . 0.0 112.276 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 11' ' ' ALA . 69.4 Cg_exo -47.27 -40.71 28.0 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.526 2.15 . . . . 0.0 111.996 179.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 10' ' ' PRO . . . 60.4 137.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.57 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.97 73.31 3.12 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.458 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -59.78 145.03 99.26 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.927 2.418 . . . . 0.0 111.975 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.65 118.19 24.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.371 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.14 -39.2 96.93 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -67.87 142.88 55.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.348 . . . . 0.0 110.495 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.04 -11.56 0.03 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 52.76 -166.61 1.22 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -55.22 156.32 17.0 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.487 2.125 . . . . 0.0 112.075 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.96 -20.76 50.72 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.607 2.205 . . . . 0.0 111.733 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.31 154.64 0.48 Allowed Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.608 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.93 161.8 35.06 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.684 2.256 . . . . 0.0 111.994 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -61.24 167.68 8.94 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.577 2.185 . . . . 0.0 112.088 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -51.8 141.51 44.74 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.321 2.014 . . . . 0.0 112.073 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.447 ' C ' ' H ' ' A' ' 27' ' ' THR . 52.2 p-10 -83.88 -155.4 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.526 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 tp 63.05 0.63 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.561 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.447 ' H ' ' C ' ' A' ' 25' ' ' ASN . 9.9 t -80.45 167.08 20.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.503 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.1 t -63.27 142.44 58.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.452 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -91.39 8.02 38.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.564 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.51 ' C ' ' H ' ' A' ' 32' ' ' LEU . 15.4 mmm180 -64.58 -38.97 92.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.519 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.709 ' HE ' ' NE2' ' A' ' 34' ' ' GLN . 11.9 tpt180 -73.16 29.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.746 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.51 ' H ' ' C ' ' A' ' 30' ' ' ARG . 2.3 pp -60.92 -13.46 16.02 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.627 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -60.82 -41.64 96.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.435 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.709 ' NE2' ' HE ' ' A' ' 31' ' ' ARG . 88.3 mt-30 -65.49 -34.69 78.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.707 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.2 m -61.83 -44.56 96.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.726 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -62.68 -37.02 84.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.618 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.05 -37.95 84.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.603 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -64.32 -40.01 95.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.493 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.2 t -62.85 -44.45 99.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.39 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -64.13 -34.84 78.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.025 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' O ' ' OD2' ' A' ' 44' ' ' ASP . 83.1 tt0 -60.91 -31.05 70.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.573 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.5 t -63.82 -18.61 22.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.622 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.5 t -60.93 -47.74 92.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.738 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' A' ' 41' ' ' GLU . 0.7 OUTLIER -67.67 -38.05 83.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.561 179.729 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.9 mm -64.76 -44.05 96.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.469 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 62.7 ttp -61.92 -39.61 92.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.368 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -58.92 -43.37 91.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.468 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.63 -42.93 97.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.555 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -60.03 -41.34 92.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.043 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.81 -43.44 89.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.106 0.479 . . . . 0.0 110.654 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.14 -19.5 64.82 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.617 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -71.75 -31.11 66.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.424 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 91.5 t -65.84 -27.24 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.64 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.547 ' N ' HD22 ' A' ' 54' ' ' LEU . 3.9 mm? -63.34 -42.24 98.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.715 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -83.49 -17.61 41.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -62.63 -43.32 99.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.643 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 58' ' ' GLN . 99.6 m-20 -63.84 -36.7 84.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.572 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 57' ' ' ASP . 56.2 tt0 42.63 95.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.953 0.406 . . . . 0.0 110.744 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 61' ' ' SER . 69.8 mmtt -63.26 -41.57 99.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.315 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.0 tp -63.53 80.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.491 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 59' ' ' LYS . 2.0 t 173.07 78.39 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.536 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -170.36 29.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.735 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.5 tp 44.8 90.57 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.713 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 64' ' ' ASP . 44.9 p-10 -76.82 126.01 30.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.67 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -61.98 -42.17 98.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.53 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -165.13 -22.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.651 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 62.89 127.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.523 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.84 -41.36 97.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.633 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -131.3 88.14 2.55 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.713 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.3 tp -72.34 -32.31 66.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.587 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -54.61 156.15 3.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.541 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.39 112.96 12.24 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.57 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 78' ' ' GLU . . . -64.37 -36.68 93.49 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.06 175.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.721 0.296 . . . . 0.0 110.445 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 74.38 -160.1 0.07 Allowed 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.69 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -62.39 -30.75 71.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.55 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -58.63 -27.05 64.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.506 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 73' ' ' GLY . 78.9 tt0 -57.55 -32.61 67.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.656 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 68.7 p -60.77 -43.88 97.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.757 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 78.1 p -62.45 -39.89 94.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.488 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.74 -36.27 83.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.578 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.32 -36.15 79.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.491 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -62.6 -42.06 99.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.617 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.13 -41.8 99.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.613 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -77.44 -18.12 57.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.563 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -61.35 -47.08 87.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.141 0.496 . . . . 0.0 110.744 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -66.42 -36.65 83.36 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.575 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -56.81 -46.03 81.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.467 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 75.7 t-105 -148.54 108.69 4.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.761 0.315 . . . . 0.0 110.68 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 -172.95 -86.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.46 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -137.92 148.78 45.61 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.311 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -137.05 -120.64 0.15 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.451 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.4 pp -75.82 -3.04 32.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.59 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -62.37 -42.63 99.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.362 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 96.8 mtp -63.72 -34.27 77.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.764 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 80.5 mtp -62.14 -36.04 80.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.633 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.04 -45.58 98.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.38 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.54 ' N ' HD12 ' A' ' 98' ' ' ILE . 1.5 mp -65.71 -44.37 93.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.937 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.51 -41.21 96.97 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.523 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -56.58 -37.95 78.58 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 74.6 t -61.08 -45.27 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.413 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.6 mm -64.43 -44.46 97.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.429 0.633 . . . . 0.0 110.457 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 90.0 m -63.82 -37.82 88.79 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.609 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.95 74.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.422 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.5 -43.41 98.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.505 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 30.3 mm -54.67 -37.47 39.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.181 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 61.0 mt -61.85 -40.6 95.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.551 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.9 mt -50.6 -40.59 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.53 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.679 ' N ' HD12 ' A' ' 109' ' ' ILE . 1.9 mp -61.97 -42.74 95.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.488 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.74 -43.8 97.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.545 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.1 mp -64.28 -45.2 96.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.274 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 77.9 t -64.95 -44.94 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.268 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -65.8 -38.76 89.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.712 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -60.34 -45.48 93.31 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.627 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 116' ' ' THR . 6.4 m -68.77 -18.04 64.14 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.952 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 115' ' ' SER . 3.9 t . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.95 -1.024 . . . . 0.0 111.393 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.7 ttp . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -67.76 142.55 56.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.526 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.62 141.55 56.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.503 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.429 ' O ' ' O ' ' A' ' 5' ' ' ALA . 65.8 p -82.85 166.37 19.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.527 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 4' ' ' THR . . . 58.62 150.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.553 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.29 -29.02 70.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.611 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 t -145.14 154.86 42.89 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.602 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.431 ' H ' HG22 ' A' ' 8' ' ' VAL . 2.9 m -70.9 150.15 95.06 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.701 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.68 165.64 24.85 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.38 2.053 . . . . 0.0 112.33 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -50.55 141.8 32.66 Favored 'Trans proline' 0 C--N 1.312 -1.392 0 C-N-CA 122.425 2.084 . . . . 0.0 111.963 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -124.48 152.77 42.95 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.469 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.4 73.23 5.51 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.457 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -60.07 145.32 98.7 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.808 2.339 . . . . 0.0 112.113 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.88 89.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.499 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.26 103.75 1.14 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -75.4 -80.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.721 0.295 . . . . 0.0 110.566 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.8 -161.07 34.36 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.769 -0.933 . . . . 0.0 110.769 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -146.98 71.88 0.32 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.07 158.82 16.51 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.606 2.204 . . . . 0.0 112.076 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.38 48.03 1.19 Allowed 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.794 2.329 . . . . 0.0 111.897 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.512 ' N ' ' CD ' ' A' ' 22' ' ' PRO . . . -164.88 50.04 0.23 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.449 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 28.7 Cg_endo -62.98 163.39 22.54 Favored 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.69 2.26 . . . . 0.0 112.215 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.451 ' C ' ' H ' ' A' ' 25' ' ' ASN . 74.3 Cg_exo -40.36 155.82 0.05 OUTLIER 'Trans proline' 0 C--N 1.311 -1.436 0 C-N-CA 122.587 2.191 . . . . 0.0 112.204 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -68.7 14.28 0.2 Allowed 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.725 2.284 . . . . 0.0 111.869 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.451 ' H ' ' C ' ' A' ' 23' ' ' PRO . 52.8 t-20 57.86 81.85 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.867 0.365 . . . . 0.0 110.619 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.4 mt -75.47 169.15 18.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.545 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.4 p 53.99 -178.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.53 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.0 p -154.29 162.65 41.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.626 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -62.72 -40.19 96.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.473 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -146.52 140.15 25.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.666 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -66.5 -23.33 66.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.847 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 73.6 mt -76.79 2.91 13.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.502 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -57.81 -41.63 82.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.394 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.603 ' C ' ' H ' ' A' ' 36' ' ' GLN . 89.3 mt-30 -64.85 -38.94 92.68 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.996 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.8 m 63.03 -33.16 0.11 Allowed 'General case' 0 CA--C 1.531 0.243 0 O-C-N 123.818 0.699 . . . . 0.0 110.903 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.603 ' H ' ' C ' ' A' ' 34' ' ' GLN . 99.5 mt-30 -57.09 -13.82 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.521 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.413 ' C ' ' N ' ' A' ' 39' ' ' VAL . . . -62.51 -35.22 78.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.479 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -46.47 -20.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.486 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 36' ' ' GLN . 10.7 p -59.31 -30.9 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.392 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.469 ' O ' HG12 ' A' ' 43' ' ' VAL . 65.2 t0 -64.25 -39.69 94.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.547 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -66.68 -35.99 81.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.579 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.406 ' O ' HG12 ' A' ' 42' ' ' VAL . 97.7 t -53.21 -15.99 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.506 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.596 HG13 ' N ' ' A' ' 44' ' ' ASP . 9.5 p -60.07 -46.42 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.009 0.433 . . . . 0.0 110.591 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.596 ' N ' HG13 ' A' ' 43' ' ' VAL . 64.4 t0 -62.44 -42.69 99.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.522 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 35.2 mm -63.68 -43.76 98.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.475 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 37.0 ttm -61.86 -40.07 94.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.534 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -59.61 -42.75 93.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.314 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.46 -43.73 98.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.572 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -61.03 -41.16 96.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.171 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.3 t -67.11 -38.59 81.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.106 0.479 . . . . 0.0 110.858 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 51' ' ' ASP . 35.4 t0 -53.01 -17.76 1.64 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.739 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -65.95 -39.01 90.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.444 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.481 ' C ' ' H ' ' A' ' 55' ' ' GLU . 68.9 t -62.19 -44.53 99.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.657 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.585 HD22 ' N ' ' A' ' 54' ' ' LEU . 3.7 mm? -73.75 36.59 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.647 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' A' ' 53' ' ' VAL . 22.3 pt-20 -62.41 -33.1 74.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.497 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -69.4 148.22 49.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.563 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -63.87 124.75 22.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.582 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -65.15 138.31 58.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.519 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.5 pttp -84.48 -95.85 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.415 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.9 mt 46.0 -119.5 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.53 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.9 t 40.75 62.19 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.749 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -61.26 -44.3 97.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.472 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.3 tp -171.72 48.34 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.636 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -91.15 116.72 29.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.47 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 34.7 p-10 -93.48 0.63 56.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.559 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 -91.95 -5.71 52.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.501 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.65 -38.31 90.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.474 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.46 ' C ' ' H ' ' A' ' 70' ' ' LEU . 39.1 p-10 -79.25 -3.24 44.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.466 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 50.15 12.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.585 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.46 ' H ' ' C ' ' A' ' 68' ' ' ASP . 51.3 tp -111.48 127.0 55.56 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.526 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -48.76 167.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.451 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -155.23 154.7 32.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.612 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.07 129.29 40.84 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.78 -37.91 89.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.734 0.302 . . . . 0.0 110.616 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.1 m -63.39 144.72 56.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.495 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.521 ' C ' ' H ' ' A' ' 78' ' ' GLU . 36.4 tp60 -93.79 13.61 21.91 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.339 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.454 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 44.2 t80 62.74 -3.2 0.32 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.557 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.521 ' H ' ' C ' ' A' ' 76' ' ' GLN . 45.1 tp10 -68.33 -32.72 73.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.33 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 62.5 p -64.43 -34.33 77.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.586 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.1 m -60.86 -42.41 97.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.603 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.2 -17.59 49.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.711 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.22 -28.36 69.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.549 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -64.42 -43.54 94.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.723 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.549 ' N ' HD12 ' A' ' 84' ' ' LEU . 10.2 mp -63.4 -41.08 98.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.336 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -63.04 -41.88 99.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.439 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -59.26 -36.04 74.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.022 0.439 . . . . 0.0 110.577 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -62.02 -41.73 98.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.485 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -68.84 -56.3 8.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.592 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -63.06 -38.82 92.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.656 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.528 ' O ' ' CD2' ' A' ' 90' ' ' TRP . 77.1 t90 56.31 18.7 3.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.493 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 84.3 tttt 56.96 71.82 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.509 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 54.8 p30 -101.15 12.55 37.38 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.515 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.49 -43.79 97.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.438 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.2 -39.52 94.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.519 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 26.0 tpp -62.54 -39.91 95.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.513 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 47.7 ttp -60.13 -44.08 95.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.581 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 65.2 mt -64.91 -45.31 95.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.467 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.9 mm -64.08 -43.48 97.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.446 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.9 tp -61.38 -38.79 88.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.326 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -58.65 -34.59 77.35 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 79.7 t -61.28 -47.67 92.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.509 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.577 HD12 ' N ' ' A' ' 102' ' ' ILE . 1.7 mp -63.79 -43.77 98.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.24 0.543 . . . . 0.0 110.437 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 92.2 m -60.31 -35.64 76.05 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.445 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.86 -34.98 73.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.3 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 21.4 mm -63.57 -43.52 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.115 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.27 -42.66 96.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.166 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.28 -42.62 98.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.693 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 91.3 mt -62.26 -42.83 96.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.392 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.16 -43.03 97.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.482 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.31 -44.79 99.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.395 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.1 mm -65.24 -44.54 95.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.74 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 73.1 t -67.28 -42.88 88.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.254 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -60.36 -44.37 95.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.808 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -62.52 -26.97 68.84 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.668 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 72.4 p -82.08 -10.9 59.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.546 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.5 m . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.535 -179.937 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.479 ' C ' ' N ' ' A' ' 3' ' ' ALA . 11.6 ptt? . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m 47.36 14.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.658 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.479 ' N ' ' C ' ' A' ' 1' ' ' MET . . . -62.92 -38.11 89.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.592 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.458 HG22 ' H ' ' A' ' 4' ' ' THR . 0.1 OUTLIER -65.41 -41.79 93.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.461 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.57 93.67 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.52 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -145.67 139.35 26.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.223 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 89.5 m -129.28 131.67 47.02 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.193 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.3 m -140.97 149.2 55.19 Favored Pre-proline 0 C--O 1.233 0.234 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.627 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -37.97 155.59 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 122.588 2.192 . . . . 0.0 112.307 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -68.53 -57.92 0.13 Allowed 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 122.581 2.187 . . . . 0.0 112.034 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 12' ' ' ALA . . . -167.72 158.49 11.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.371 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.63 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -44.18 170.51 0.05 OUTLIER Pre-proline 0 CA--C 1.537 0.467 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.597 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.63 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 52.3 Cg_exo -50.96 -43.85 45.27 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.386 2.057 . . . . 0.0 112.139 179.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 178.42 -101.22 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.551 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.72 170.65 43.79 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -157.81 159.19 36.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.71 0.291 . . . . 0.0 110.44 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -146.72 14.52 1.57 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 170.7 168.57 32.65 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.536 ' O ' ' N ' ' A' ' 21' ' ' ALA . 36.3 Cg_endo -66.42 163.67 31.43 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.528 2.152 . . . . 0.0 112.101 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 21' ' ' ALA . 77.3 Cg_exo -43.81 82.24 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.723 2.282 . . . . 0.0 112.436 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . 38.6 91.13 0.06 OUTLIER Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.614 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -77.67 115.67 3.9 Favored 'Trans proline' 0 C--N 1.313 -1.311 0 C-N-CA 121.846 1.697 . . . . 0.0 111.857 -179.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.501 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 35.3 Cg_exo -50.87 -43.1 48.89 Favored 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 121.613 1.542 . . . . 0.0 111.99 178.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 23' ' ' PRO . 31.7 Cg_exo -56.75 -58.65 0.87 Allowed 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 121.826 1.684 . . . . 0.0 112.323 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.7 28.66 14.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.784 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' ' 29' ' ' ASN . 9.0 mp -64.81 -39.89 94.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.441 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.8 p -42.74 -64.66 0.58 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.872 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.5 m -60.87 -43.49 98.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.434 ' O ' ' O ' ' A' ' 26' ' ' LEU . 92.5 m-20 -76.4 175.52 9.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.596 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -169.46 -122.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.797 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -58.08 -17.07 15.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.861 0.362 . . . . 0.0 110.494 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.1 mt -81.34 1.21 33.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.549 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -57.04 -41.66 79.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.251 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -64.0 -39.42 94.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.726 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.0 m -62.64 -45.39 93.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.718 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.406 ' C ' ' H ' ' A' ' 38' ' ' GLN . 86.9 mt-30 -63.9 -39.39 94.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.601 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.05 -11.09 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.638 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.406 ' H ' ' C ' ' A' ' 36' ' ' GLN . 58.1 tt0 -55.18 -39.5 69.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.518 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 40' ' ' ASP . 9.3 p -64.83 -39.67 86.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.522 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.471 ' N ' HG13 ' A' ' 39' ' ' VAL . 93.5 m-20 -68.92 -20.65 64.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.793 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -65.97 -40.55 91.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.548 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.9 t -64.04 -43.93 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.398 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.2 t -60.29 -42.39 90.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.224 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.88 -40.77 94.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.597 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.9 -43.76 97.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.704 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 68.8 mmm -64.43 -39.95 94.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.461 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -61.92 -42.92 99.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.611 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 73.7 t -64.12 -42.66 96.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -60.2 -40.64 90.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.142 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.7 t -65.03 -43.1 96.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.078 0.466 . . . . 0.0 110.58 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -66.75 -27.94 68.01 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.705 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.453 ' HZ1' ' HG2' ' A' ' 58' ' ' GLN . 88.5 tttt -66.35 -35.67 80.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.035 0.445 . . . . 0.0 110.403 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.8 t -62.86 -44.62 99.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.399 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.54 -42.64 99.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.692 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 52' ' ' LYS . 22.3 pt-20 -167.98 -156.48 0.19 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.747 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.0 ttp85 56.49 79.79 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.484 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -78.82 169.27 18.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.561 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.453 ' HG2' ' HZ1' ' A' ' 52' ' ' LYS . 87.6 mt-30 -61.85 134.37 56.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.369 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -62.92 -42.95 99.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.603 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.1 tp -123.46 126.34 46.57 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.889 0.376 . . . . 0.0 110.381 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.3 t -172.58 -31.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.809 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -171.48 -31.93 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.662 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.6 tp -56.26 99.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.477 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -159.46 -99.16 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.641 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.74 -44.06 97.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.745 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -154.66 151.62 29.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.703 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -164.14 -21.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.525 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.486 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 99.6 m-20 -62.14 -43.41 98.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.563 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 68' ' ' ASP . . . 68.71 106.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.378 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.4 ' H ' HD23 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -95.26 153.79 17.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.217 -179.857 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.521 ' O ' ' N ' ' A' ' 73' ' ' GLY . 88.2 mt-30 52.33 -94.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.608 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 52.41 -84.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.549 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 71' ' ' GLN . . . 75.58 22.21 75.66 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.34 -12.3 60.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.783 0.325 . . . . 0.0 110.554 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.0 t 55.25 78.41 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.648 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -80.08 -16.08 55.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.597 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -61.8 -45.05 95.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.697 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.01 -38.51 88.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.52 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.1 p -64.36 -41.82 96.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.597 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 78.5 p -62.11 -40.01 94.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.585 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.89 -19.93 56.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.706 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.98 97.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.649 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.84 -44.92 91.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.726 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.9 mt -63.17 -42.06 99.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.445 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -60.4 -42.47 96.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.587 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -78.94 -28.37 43.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.74 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -56.94 -44.03 82.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.392 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -73.86 -111.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.533 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 35.3 p-90 -173.46 36.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.399 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -61.38 -43.55 98.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.357 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -128.99 145.04 51.35 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.435 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -90.37 146.71 23.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.146 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.489 ' H ' HD23 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -82.74 -0.4 47.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.063 -179.65 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.34 -36.8 78.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.404 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 73.9 mtm -63.39 -39.06 93.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.426 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 90.1 mmm -66.47 -39.35 88.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.3 -49.6 83.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.106 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.0 tt -66.69 -38.01 80.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.673 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 31.2 mt -62.98 -39.76 95.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.343 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.15 -33.81 85.63 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 85.6 t -62.99 -44.24 99.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.812 0.339 . . . . 0.0 110.729 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 12.9 mm -63.57 -45.21 98.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.205 0.526 . . . . 0.0 110.583 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 104' ' ' ALA . 5.6 p -64.07 -37.92 89.19 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.557 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.473 ' N ' ' SG ' ' A' ' 103' ' ' CYS . . . -59.82 -37.65 79.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.593 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.3 -43.38 98.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.508 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 63.1 mt -57.76 -30.89 38.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.142 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 53.5 tp -68.52 -36.27 78.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.757 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 42.0 mm -59.76 -48.45 87.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.209 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 18.5 pt -65.21 -39.46 85.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.842 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 78.0 mt -60.83 -42.32 92.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.5 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.9 mm -61.45 -42.08 92.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.336 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 116' ' ' THR . 81.0 t -60.81 -45.39 98.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.826 0.346 . . . . 0.0 110.123 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -63.67 -38.46 91.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -60.27 -45.18 94.21 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.809 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.5 m -89.98 -15.82 31.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.863 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.0 m . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 118.099 -0.953 . . . . 0.0 111.114 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 ptp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m 49.5 18.99 0.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 4' ' ' THR . . . -64.29 -38.12 89.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.506 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.435 ' O ' ' O ' ' A' ' 3' ' ' ALA . 45.9 p 51.62 173.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.38 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -149.91 -28.75 0.24 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.496 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.84 -40.68 93.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.58 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 97.9 m -125.17 128.13 47.88 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.935 0.397 . . . . 0.0 110.435 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.434 HG22 ' H ' ' A' ' 8' ' ' VAL . 4.0 m -75.57 149.13 83.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.636 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -68.97 161.84 44.12 Favored 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 122.479 2.119 . . . . 0.0 112.269 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -68.63 152.58 74.5 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.879 2.386 . . . . 0.0 111.898 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.28 143.19 56.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.336 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -163.82 72.39 1.78 Allowed Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.428 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -59.76 145.57 97.83 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.796 2.331 . . . . 0.0 112.062 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.37 -37.28 86.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.361 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 16' ' ' GLU . . . 75.4 -87.44 0.81 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 15' ' ' GLY . 80.4 mm-40 -52.61 -173.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.803 0.335 . . . . 0.0 110.407 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 67.34 -129.43 28.57 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.36 -166.75 29.63 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -52.34 157.15 7.11 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.604 2.203 . . . . 0.0 112.089 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -68.75 154.88 70.41 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 122.73 2.287 . . . . 0.0 111.984 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.586 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -45.38 163.74 0.2 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.387 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.586 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 73.8 Cg_exo -41.34 154.24 0.08 OUTLIER 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.707 2.271 . . . . 0.0 112.184 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -68.26 161.71 43.49 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.665 2.243 . . . . 0.0 112.108 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.47 146.38 84.98 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.759 2.306 . . . . 0.0 111.689 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -92.66 105.26 17.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.205 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.421 ' HG ' ' H ' ' A' ' 28' ' ' SER . 51.5 tp -122.09 122.33 39.0 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.248 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 m -107.29 44.44 1.07 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.54 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.421 ' H ' ' HG ' ' A' ' 26' ' ' LEU . 13.8 t -61.07 -43.44 98.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.455 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -85.24 161.27 19.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.456 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 85.4 mtp180 43.34 65.8 0.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.686 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -65.94 -21.54 66.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.594 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.1 mt -80.81 8.12 8.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.451 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.422 ' HA ' HE21 ' A' ' 36' ' ' GLN . 58.4 tt0 -61.57 -42.83 99.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.548 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -74.74 -25.57 59.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.772 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.9 m -63.17 -46.63 86.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.82 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.422 HE21 ' HA ' ' A' ' 33' ' ' GLN . 27.2 pt20 -80.09 -12.18 59.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.663 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.51 -13.04 61.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.604 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -49.84 -23.7 2.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.529 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.5 p -60.64 -26.82 39.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.363 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -61.5 -37.72 84.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.497 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.44 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 76.6 mm-40 -65.68 -29.53 70.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.472 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 82.4 t -69.59 -25.09 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.742 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.5 t -62.05 -47.1 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.715 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 41' ' ' GLU . 2.4 p-10 -71.69 -39.63 70.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.728 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.55 -43.9 98.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.928 0.394 . . . . 0.0 110.448 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.8 ttm -61.54 -39.83 92.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.531 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -57.77 -42.72 84.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.511 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.89 -43.09 94.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.513 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -58.25 -37.6 75.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.26 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.48 -29.55 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.086 0.47 . . . . 0.0 110.536 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.446 ' O ' ' OE1' ' A' ' 55' ' ' GLU . 86.1 m-20 -78.37 -28.58 47.11 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.802 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -68.83 -41.79 78.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.986 0.422 . . . . 0.0 110.971 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.5 m -74.11 -13.85 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.847 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.449 ' C ' ' H ' ' A' ' 56' ' ' ARG . 58.0 tp -62.83 -38.14 89.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.751 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.471 ' OE1' ' N ' ' A' ' 55' ' ' GLU . 57.9 mp0 -75.38 33.79 0.11 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.127 -179.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.449 ' H ' ' C ' ' A' ' 54' ' ' LEU . 80.5 mtp85 -112.85 6.42 17.94 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.524 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -61.11 -44.93 96.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.626 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -77.79 143.74 37.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.644 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -67.32 -79.14 0.05 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.401 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.56 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.8 mm? -90.11 141.59 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.1 0.476 . . . . 0.0 110.39 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.8 m -102.71 -83.55 0.47 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.813 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -126.25 -11.21 6.39 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 120.974 0.416 . . . . 0.0 110.71 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.548 ' N ' HD12 ' A' ' 63' ' ' LEU . 10.4 mp -61.01 -39.32 89.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.2 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -42.46 -61.91 1.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.347 . . . . 0.0 110.769 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 48.2 p-10 -169.39 171.36 7.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.633 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -75.2 86.16 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.415 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -111.68 131.17 55.47 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.922 0.391 . . . . 0.0 110.607 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -64.04 -41.78 97.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.675 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -174.77 -107.73 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.476 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.538 HD12 ' N ' ' A' ' 70' ' ' LEU . 10.5 mp -63.19 -41.48 99.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.0 0.429 . . . . 0.0 110.599 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -61.43 128.27 35.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.574 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 46.45 38.58 5.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.58 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.51 -121.82 0.28 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.29 -123.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.746 0.308 . . . . 0.0 110.512 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.563 ' C ' ' H ' ' A' ' 77' ' ' PHE . 23.9 p -77.99 -65.15 1.01 Allowed 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.811 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 64.54 -9.62 0.17 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.506 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.563 ' H ' ' C ' ' A' ' 75' ' ' SER . 48.1 m-85 -78.69 -152.61 0.06 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.415 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -92.76 -13.38 29.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.743 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.524 HG23 ' N ' ' A' ' 80' ' ' SER . 11.6 t -60.45 -43.23 97.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.582 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.524 ' N ' HG23 ' A' ' 79' ' ' THR . 94.7 p -60.81 -37.04 80.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.516 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.04 -22.2 65.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.6 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.38 -36.0 80.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.627 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -61.44 -42.27 98.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.464 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.2 tp -63.3 -42.7 99.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.489 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.43 -43.54 98.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.428 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 89' ' ' TRP . 78.9 mtp85 -63.52 -43.65 96.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.771 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -64.52 -47.65 78.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.566 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -61.92 -47.12 86.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.595 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.428 ' O ' ' O ' ' A' ' 86' ' ' ARG . 75.4 t-105 -93.71 118.0 30.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.487 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -83.07 133.78 35.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.462 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 65.0 tttm -79.77 129.51 34.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.231 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 91' ' ' LYS . 13.5 m120 -139.79 27.12 2.24 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.519 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 49.2 tp -63.11 -34.13 76.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.43 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -59.75 -39.8 86.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.393 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 65.0 mtt -63.97 -37.43 87.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.394 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 6.9 ttt -61.2 -35.74 77.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.78 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 95.4 mt -61.75 -42.37 94.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.266 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 96.6 mt -58.84 -47.08 90.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.567 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.468 HD22 ' N ' ' A' ' 99' ' ' LEU . 4.0 mm? -64.6 -38.05 89.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.366 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -58.29 -38.92 91.74 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.32 -47.87 91.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.464 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 53.8 mt -62.43 -47.92 90.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.407 0.622 . . . . 0.0 110.588 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 93.1 m -58.69 -38.87 79.2 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.409 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.06 -35.0 64.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.28 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 67.6 mt -63.28 -42.06 95.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.595 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 64.6 mt -60.8 -43.59 95.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.654 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.05 -41.27 97.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.509 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.401 ' O ' HG23 ' A' ' 112' ' ' VAL . 96.8 mt -63.16 -43.24 98.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.432 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.39 -43.34 98.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.396 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 93.8 mt -61.94 -43.01 96.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.39 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.21 -42.13 94.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.654 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 108' ' ' ILE . 52.1 t -57.36 -29.91 34.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -96.16 -17.52 20.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.489 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -61.35 -45.42 94.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.062 0.458 . . . . 0.0 110.897 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 116' ' ' THR . 8.6 t -63.36 -20.41 65.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.946 -179.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 115' ' ' SER . 4.9 t . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.038 -0.982 . . . . 0.0 111.364 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.9 p -62.53 -36.4 82.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.541 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.65 141.72 55.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.38 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.8 p -137.4 156.6 48.0 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.462 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -159.86 150.86 19.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.481 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -163.94 154.87 15.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.246 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.5 p -134.29 156.18 48.89 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.19 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.5 t -143.88 129.64 9.91 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.654 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -73.13 161.48 43.11 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 122.203 1.936 . . . . 0.0 112.288 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -62.95 -28.96 75.45 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.757 2.305 . . . . 0.0 111.834 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 43.25 33.84 0.63 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.617 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.416 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . -155.88 55.19 1.07 Allowed Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.586 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.416 ' CD ' ' N ' ' A' ' 12' ' ' ALA . 55.6 Cg_endo -69.36 152.18 71.36 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.804 2.336 . . . . 0.0 111.999 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.85 141.2 55.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.3 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -160.99 86.7 0.11 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 53.36 33.53 15.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.568 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.4 169.73 51.34 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.73 166.24 37.43 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -67.53 161.97 41.12 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.608 2.205 . . . . 0.0 112.028 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.38 177.25 5.5 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.766 2.311 . . . . 0.0 111.687 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.54 72.96 11.74 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.35 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -78.41 160.53 28.9 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.483 2.122 . . . . 0.0 112.129 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.22 161.72 41.7 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.508 2.138 . . . . 0.0 112.007 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.09 147.89 80.28 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.839 2.36 . . . . 0.0 111.759 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -153.14 147.79 26.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.387 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 68.1 mt -81.95 79.69 8.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.221 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.8 m -62.11 -45.58 92.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.378 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.9 p -157.42 162.83 39.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.587 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -73.19 166.01 23.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.522 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -57.95 96.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.427 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.441 ' O ' ' OG1' ' A' ' 35' ' ' THR . 95.4 mtt-85 -63.03 -36.34 83.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.728 ' H ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -60.93 -43.68 98.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.163 -179.71 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -65.22 -39.9 93.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.406 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -64.42 -29.49 70.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.777 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -76.62 175.97 8.81 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.081 0.467 . . . . 0.0 110.438 -179.563 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.436 ' C ' ' N ' ' A' ' 38' ' ' GLN . 98.9 mm-40 -80.35 -12.07 59.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.476 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.81 -12.41 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.938 0.399 . . . . 0.0 110.601 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.436 ' N ' ' C ' ' A' ' 36' ' ' GLN . 66.6 tp60 -57.24 -28.46 62.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.287 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.6 m -62.09 -7.29 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.373 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 41' ' ' GLU . 42.2 p-10 -63.88 -35.66 81.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.522 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.505 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 98.1 mt-10 -66.36 -38.19 87.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.714 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.478 ' O ' ' SD ' ' A' ' 46' ' ' MET . 91.2 t -54.3 -16.78 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.491 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.17 -43.56 98.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.637 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 45' ' ' ILE . 2.5 p30 -62.84 -35.06 78.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.609 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.533 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 57.6 mt -63.63 -43.86 98.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.463 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.569 ' SD ' ' N ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -62.88 -38.37 90.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.34 -179.851 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -61.84 -40.65 96.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.51 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.21 -43.46 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.569 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -59.13 -40.47 85.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.048 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.9 t -66.14 -43.57 92.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.14 0.495 . . . . 0.0 110.81 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -74.42 -15.07 60.93 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.839 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -66.84 -33.74 76.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.318 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.0 t -63.88 -44.55 98.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.795 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 56.8 mt -86.37 31.84 0.65 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.575 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -68.65 -169.56 0.17 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.55 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -75.56 145.75 41.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.632 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.79 141.0 58.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.499 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -51.55 -99.49 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.601 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -140.91 44.41 1.81 Allowed 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.797 0.332 . . . . 0.0 110.528 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.537 ' N ' HD12 ' A' ' 60' ' ' LEU . 10.5 mp -63.16 -41.94 99.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.541 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.611 ' C ' ' H ' ' A' ' 63' ' ' LEU . 6.2 p -153.48 -82.48 0.08 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.494 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 65.19 -29.04 0.11 Allowed 'General case' 0 N--CA 1.464 0.254 0 O-C-N 123.64 0.587 . . . . 0.0 111.15 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.611 ' H ' ' C ' ' A' ' 61' ' ' SER . 4.5 mm? -89.84 5.3 46.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.53 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.466 ' O ' ' O ' ' A' ' 63' ' ' LEU . 98.4 m-20 -52.57 -106.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.479 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -155.34 -38.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.486 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -62.61 -43.4 98.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.613 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.63 -37.83 88.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.536 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -62.38 -42.13 99.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 56.54 61.04 2.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.574 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.6 tp -62.83 -42.53 99.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.465 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.555 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 58.2 tt0 -48.51 -90.06 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.378 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 71' ' ' GLN . . . 170.11 162.21 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.919 0.39 . . . . 0.0 110.161 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.84 -140.01 46.84 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.19 -31.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.772 0.32 . . . . 0.0 110.71 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 45.2 t -156.48 165.03 37.5 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.595 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -75.82 -118.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.529 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -95.94 -1.25 49.57 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.531 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -62.6 -40.36 96.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.399 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.0 t -66.12 -36.21 82.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.531 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.7 t -61.45 -43.12 99.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.634 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.56 -38.27 90.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.663 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.85 92.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.419 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -62.48 -45.48 92.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.645 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.2 tp -62.93 -40.6 98.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.183 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 1.6 tmmm? -62.87 -41.4 99.36 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.803 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -65.74 -36.9 84.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.108 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -51.97 -38.83 58.01 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.495 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -74.83 161.12 29.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.392 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -46.02 -55.11 7.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.544 -179.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -173.24 89.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.311 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.469 ' O ' ' CG ' ' A' ' 85' ' ' LYS . 98.2 mttt -113.64 148.69 35.82 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.502 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.422 ' O ' ' OD1' ' A' ' 92' ' ' ASN . 53.7 p30 -133.69 66.69 1.54 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.559 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 93' ' ' LEU . 10.4 mp -62.94 -38.85 92.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.321 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -58.38 -43.56 88.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.411 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 66.0 mtt -64.74 -39.51 93.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.907 0.384 . . . . 0.0 110.447 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 62.9 ttp -61.52 -40.97 96.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.335 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.93 -43.51 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.497 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.67 -43.14 98.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.333 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.71 -40.31 96.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.65 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.6 -34.92 90.2 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.412 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 73.9 t -61.84 -46.76 95.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.601 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 59.7 mt -59.88 -48.24 88.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.416 0.627 . . . . 0.0 110.619 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 72.2 m -56.56 -35.06 67.73 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.472 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -55.53 -39.44 70.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.589 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.519 ' N ' HD12 ' A' ' 105' ' ' ILE . 1.9 mp -62.85 -40.52 89.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.262 -0.427 . . . . 0.0 109.858 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.54 ' O ' HG22 ' A' ' 109' ' ' ILE . 61.3 mt -57.91 -48.19 84.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.415 -178.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 107' ' ' LEU . 11.0 mp -63.44 -39.88 95.67 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.057 0.456 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 88.7 mt -62.38 -43.18 97.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.003 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.54 HG22 ' O ' ' A' ' 106' ' ' ILE . 1.5 tp -53.21 -33.84 21.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.032 0.444 . . . . 0.0 110.027 -178.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 44.4 mm -65.49 -43.02 94.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.697 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 37.5 mm -59.32 -51.87 67.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.018 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.412 ' H ' HG22 ' A' ' 112' ' ' VAL . 15.3 m -67.83 -42.93 86.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.989 0.423 . . . . 0.0 110.544 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.407 ' N ' HG23 ' A' ' 112' ' ' VAL . 87.8 t80 -59.65 -43.57 93.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.814 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -59.9 -43.99 94.5 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.749 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.3 m -85.38 -7.02 59.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.686 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 31.0 m . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.575 -179.895 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.4 ttp . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.8 t -152.28 149.18 28.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.506 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.82 143.23 57.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.625 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.0 p -78.95 164.92 24.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.515 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.76 141.52 57.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.38 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.87 117.62 28.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.351 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.6 p -135.92 157.59 46.47 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.231 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.1 t -145.23 62.63 9.1 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.296 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -74.12 165.22 32.5 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.429 2.086 . . . . 0.0 112.272 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -50.22 137.74 37.81 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.333 2.022 . . . . 0.0 112.095 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.46 -12.12 59.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.458 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.451 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 61.41 53.26 2.65 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.493 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 12' ' ' ALA . 39.3 Cg_endo -66.36 -21.18 54.42 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.812 2.341 . . . . 0.0 112.04 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.05 142.85 55.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.6 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -159.38 92.02 0.12 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.25 138.26 57.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.895 0.378 . . . . 0.0 110.497 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 169.67 142.2 3.48 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -177.92 74.61 0.07 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -52.04 156.03 7.94 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.681 2.254 . . . . 0.0 112.002 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.1 -28.06 56.96 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 122.67 2.246 . . . . 0.0 111.853 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 43.32 69.93 2.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.44 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -51.1 155.62 6.04 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.773 2.315 . . . . 0.0 112.202 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.9 166.85 19.21 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.356 2.038 . . . . 0.0 112.282 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.05 143.21 51.42 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.494 2.129 . . . . 0.0 112.131 178.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -65.86 137.74 57.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.432 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.589 ' N ' HD12 ' A' ' 26' ' ' LEU . 9.5 mp -75.43 148.56 39.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.417 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.4 p 48.77 -151.27 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.436 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.9 t 43.84 -162.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.668 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.428 ' C ' ' H ' ' A' ' 31' ' ' ARG . 16.2 m120 54.68 94.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.621 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.489 ' C ' ' H ' ' A' ' 32' ' ' LEU . 85.2 mtp180 -75.57 39.28 0.16 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.669 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.428 ' H ' ' C ' ' A' ' 29' ' ' ASN . 95.7 mtt-85 -74.73 26.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.722 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.489 ' H ' ' C ' ' A' ' 30' ' ' ARG . 87.4 mt -63.29 -42.23 99.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.896 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -58.21 -39.25 78.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.373 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -63.33 -30.72 71.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.442 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.3 m -62.57 -45.39 93.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.738 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -59.92 -39.56 85.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.565 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.09 -13.13 61.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.685 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.481 ' NE2' ' OE1' ' A' ' 41' ' ' GLU . 61.1 tp60 -65.15 -26.47 68.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.311 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.545 ' O ' HG12 ' A' ' 42' ' ' VAL . 92.9 t -63.11 -46.47 95.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.512 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 65.4 t0 -65.42 -37.41 86.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.609 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.481 ' OE1' ' NE2' ' A' ' 38' ' ' GLN . 97.0 mt-10 -58.96 -19.93 47.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.77 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 39' ' ' VAL . 8.1 p -48.4 -25.58 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.429 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.6 t -61.97 -44.04 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.297 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.401 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 65.5 t0 -58.63 -44.71 90.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.715 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.419 HD12 ' H ' ' A' ' 45' ' ' ILE . 3.7 mp -64.69 -42.56 95.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.39 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 91.2 mtp -61.65 -41.32 97.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.493 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.401 ' HE ' ' HA ' ' A' ' 44' ' ' ASP . 86.5 mtm180 -63.19 -39.55 94.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.578 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.6 t -63.9 -43.87 97.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.607 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -61.5 -42.07 98.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.32 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.405 ' C ' ' H ' ' A' ' 52' ' ' LYS . 99.2 t -71.82 -28.33 30.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.141 0.496 . . . . 0.0 110.851 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -56.18 -9.24 0.61 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.599 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' A' ' 50' ' ' VAL . 63.9 pttt -62.65 -19.68 64.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.396 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.0 p -63.51 -35.63 73.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.394 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -62.83 -43.26 99.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.21 0.529 . . . . 0.0 110.448 -179.188 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 54' ' ' LEU . 22.7 tp10 -60.32 -132.01 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.402 -179.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' A' ' 55' ' ' GLU . 56.3 ttp180 57.57 153.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.737 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 43.3 t0 52.67 86.62 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.527 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -142.92 147.44 35.27 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.994 0.426 . . . . 0.0 110.392 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -62.16 -44.49 96.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.702 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.1 mt -83.85 131.38 34.88 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.311 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.7 t -172.86 -54.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.801 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -165.03 -40.13 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.571 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 63' ' ' LEU . 3.8 mm? -81.19 133.07 35.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.56 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 40.1 t0 -153.85 159.05 41.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.58 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.513 ' N ' ' OD1' ' A' ' 64' ' ' ASP . 99.5 m-20 53.28 170.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.559 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 47.99 85.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.505 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.04 142.61 25.4 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.544 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 55.3 t0 55.92 27.31 10.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.519 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 71' ' ' GLN . . . -77.55 -58.2 3.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.644 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.6 tp 42.95 19.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.668 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 69' ' ' ALA . 52.5 mt-30 -62.7 131.08 47.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.589 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.24 142.4 57.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.459 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -93.5 8.87 74.57 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.75 97.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.684 0.278 . . . . 0.0 110.556 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.3 m -72.49 150.68 43.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.659 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -59.13 -175.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.508 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -82.81 -1.02 50.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.419 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -80.12 -37.31 33.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.663 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.9 m -62.35 -44.99 95.19 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 120.826 0.346 . . . . 0.0 110.814 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.2 t -61.64 -43.07 99.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.467 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.88 -37.28 86.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.647 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.84 -47.95 79.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.635 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -61.65 -42.51 98.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.431 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.97 -41.29 97.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.417 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.1 -35.93 78.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.56 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -64.22 -43.73 94.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -104.42 31.18 4.81 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.81 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -59.75 -46.93 87.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.449 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -148.25 -19.18 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.577 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 75.0 t-105 -162.33 115.56 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.425 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.453 ' CD ' ' H ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -79.62 155.98 27.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.197 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.411 ' O ' ' OD1' ' A' ' 92' ' ' ASN . 50.5 p30 -77.65 73.47 4.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.637 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 83.3 mt -83.64 -7.06 59.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.334 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -63.73 -34.18 77.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.524 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 97.1 mtp -64.86 -38.95 92.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.658 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 36.9 ttm -61.89 -36.23 80.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.316 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.4 mm -61.68 -46.74 95.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.654 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 35.7 mm -64.51 -43.43 96.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.113 0.483 . . . . 0.0 110.292 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.7 tt -62.02 -39.42 92.21 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.802 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -59.3 -34.76 81.8 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 94.5 t -63.31 -44.86 99.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 110.67 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.8 mm -64.36 -44.14 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.342 0.592 . . . . 0.0 110.453 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 82.8 m -63.09 -36.29 83.09 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.455 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.35 -35.46 77.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.489 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.48 -43.65 98.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.383 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 35.8 mm -63.85 -42.83 97.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.372 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.605 ' O ' HD23 ' A' ' 107' ' ' LEU . 1.6 tt -60.73 -44.11 97.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.119 0.485 . . . . 0.0 110.169 -179.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 96.2 mt -62.64 -42.34 95.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.426 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.7 mm -61.51 -42.65 94.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.439 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.07 -43.87 98.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.923 0.392 . . . . 0.0 110.314 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.4 mm -65.21 -43.97 95.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.933 0.397 . . . . 0.0 110.498 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 98.9 t -71.52 -25.36 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.533 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.515 ' O ' HG22 ' A' ' 116' ' ' THR . 91.3 t80 -60.71 -44.69 96.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.631 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -65.67 -38.13 88.44 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.724 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 74.6 m -82.64 -7.66 59.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.813 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 113' ' ' TYR . 13.7 t . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.892 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.2 mtp . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -59.74 -40.94 89.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.604 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.49 111.79 13.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.9 m -118.84 127.73 53.79 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.449 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.86 140.13 58.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.417 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -166.21 101.47 0.63 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.368 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 90.7 m -125.1 131.23 53.33 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.351 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 m -144.39 150.13 46.87 Favored Pre-proline 0 C--O 1.234 0.251 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.656 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.91 167.19 20.31 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 C-N-CA 122.349 2.033 . . . . 0.0 112.359 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -54.12 143.59 62.14 Favored 'Trans proline' 0 N--CA 1.493 1.5 0 C-N-CA 122.334 2.023 . . . . 0.0 112.147 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.59 -38.41 91.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.465 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 58.92 57.31 5.68 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.611 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.81 153.42 68.74 Favored 'Trans proline' 0 C--N 1.31 -1.499 0 C-N-CA 122.811 2.34 . . . . 0.0 112.002 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.8 144.94 32.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.465 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 163.66 124.81 0.73 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' A' ' 18' ' ' GLY . 57.3 mp0 -68.75 -51.34 42.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.781 0.324 . . . . 0.0 110.691 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 42.26 19.82 0.06 OUTLIER Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 16' ' ' GLU . . . 158.18 74.26 0.02 OUTLIER Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.463 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 30.0 Cg_exo -58.63 -174.63 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.532 2.155 . . . . 0.0 112.085 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' A' ' 19' ' ' PRO . 31.2 Cg_exo -60.69 147.4 94.98 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.652 2.234 . . . . 0.0 112.003 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.19 152.42 46.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.784 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.41 160.3 46.22 Favored 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.526 2.151 . . . . 0.0 112.077 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 24' ' ' PRO . 43.6 Cg_endo -70.05 163.25 39.19 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.466 2.111 . . . . 0.0 112.129 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 23' ' ' PRO . 73.4 Cg_exo -42.5 172.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.755 2.303 . . . . 0.0 112.158 179.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -62.4 -41.11 98.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.635 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.508 ' H ' HD23 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -84.09 122.48 28.87 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.832 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.2 p -99.14 120.24 39.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.465 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.4 p -64.46 -19.03 65.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.483 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -75.73 156.1 34.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.592 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -70.03 146.52 50.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.609 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -62.72 -35.85 81.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.387 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.438 ' O ' ' O ' ' A' ' 35' ' ' THR . 20.7 mt -61.6 -40.81 96.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.792 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -63.36 -37.56 87.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.557 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -62.28 -57.06 12.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.821 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.438 ' O ' ' O ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -99.22 131.71 45.06 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.164 0.507 . . . . 0.0 110.455 179.65 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -96.43 -18.08 20.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.806 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.39 -15.95 57.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.721 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -64.72 -53.32 49.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.703 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.46 ' O ' HG12 ' A' ' 42' ' ' VAL . 9.1 p -67.57 -37.24 78.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.592 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.424 ' O ' HG12 ' A' ' 43' ' ' VAL . 47.9 t0 -64.97 -22.09 66.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.407 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -55.12 -21.97 14.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.699 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 39' ' ' VAL . 10.1 p -62.05 -22.51 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.489 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.576 HG13 ' N ' ' A' ' 44' ' ' ASP . 9.4 p -58.81 -45.13 91.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.071 0.462 . . . . 0.0 110.536 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.576 ' N ' HG13 ' A' ' 43' ' ' VAL . 99.4 m-20 -57.5 -45.04 85.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.291 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.37 -42.7 97.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.449 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.431 ' SD ' ' C ' ' A' ' 46' ' ' MET . 13.9 tmm? -59.83 -38.77 82.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.602 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 -62.34 -39.35 92.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.513 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.2 t -61.92 -44.4 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.666 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -60.09 -40.31 89.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.944 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.21 -41.42 92.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.71 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.53 -38.26 83.87 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.557 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -66.51 -40.85 89.41 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.951 0.405 . . . . 0.0 110.461 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.9 t -67.45 -43.72 87.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.596 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 tp -80.0 26.2 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.84 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -65.94 -32.5 74.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.583 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 61.96 56.33 2.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.394 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -86.07 -3.86 59.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.573 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -67.73 151.75 46.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.522 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.97 -41.24 99.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.722 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 73.51 24.76 2.21 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.532 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.2 p -168.32 83.87 0.18 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.266 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -167.37 -72.42 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.478 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.437 ' O ' ' OD1' ' A' ' 64' ' ' ASP . 6.1 tt -95.52 122.35 38.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.673 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 63' ' ' LEU . 99.4 m-20 -141.5 147.22 37.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.673 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -83.17 -115.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.529 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 90.6 mtm-85 -64.84 -39.27 93.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.576 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.9 144.18 56.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.48 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 53.5 p30 -171.07 35.83 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.581 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.26 -86.42 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.447 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 70.5 mt -74.22 144.23 44.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.516 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.438 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 53.9 mt-30 -63.45 -38.31 90.64 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.523 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 71' ' ' GLN . . . 66.73 32.11 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.586 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 67.74 32.95 79.1 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 50.8 -146.45 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.691 0.281 . . . . 0.0 110.533 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -69.26 140.93 54.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.477 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -87.88 -8.73 55.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.663 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.415 ' O ' ' OG ' ' A' ' 80' ' ' SER . 87.3 m-85 -64.63 -39.41 93.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.553 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -65.07 -42.7 93.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.562 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 66.3 p -71.47 -33.75 69.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.77 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' A' ' 77' ' ' PHE . 79.0 p -63.28 -29.23 70.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.485 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.96 98.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.504 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.06 82.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.857 0.36 . . . . 0.0 110.573 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -65.5 -37.69 87.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.515 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.8 tp -60.59 -42.9 97.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.495 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.19 -40.68 96.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.231 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -63.13 -43.54 98.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.051 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.549 ' O ' ' N ' ' A' ' 90' ' ' TRP . 98.4 mttt -60.66 -46.09 91.64 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.565 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.605 ' C ' ' H ' ' A' ' 90' ' ' TRP . 65.4 t80 40.09 44.56 1.52 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.652 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 53.1 m95 62.63 -11.4 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.777 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.605 ' H ' ' C ' ' A' ' 88' ' ' TYR . 21.3 t90 -69.34 -48.41 61.49 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.565 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.442 ' NZ ' HD21 ' A' ' 93' ' ' LEU . 63.6 tttm -111.96 125.63 54.26 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.179 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -127.5 131.79 50.07 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.442 HD21 ' NZ ' ' A' ' 91' ' ' LYS . 41.5 mt -83.66 -0.31 50.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.41 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -54.77 -49.74 70.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.105 0.478 . . . . 0.0 110.155 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 37.8 ttm -64.21 -37.12 86.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.388 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 97.4 mmm -63.33 -35.83 81.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.381 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.44 -42.9 97.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.548 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.57 -43.61 98.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.084 0.469 . . . . 0.0 109.944 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.584 HD13 ' O ' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -62.25 -40.3 95.73 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.245 0.545 . . . . 0.0 110.743 -179.033 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -57.52 -33.19 65.99 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.9 t -62.18 -47.02 95.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.323 . . . . 0.0 110.476 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.575 HD12 ' N ' ' A' ' 102' ' ' ILE . 1.7 mp -63.57 -44.77 98.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.242 0.544 . . . . 0.0 110.427 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 97.4 m -64.16 -42.82 96.59 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.576 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.32 -36.59 43.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.629 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.65 -42.37 95.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.538 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.3 mt -60.12 -43.19 92.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.289 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 107' ' ' LEU . 4.2 mm? -63.07 -41.81 99.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.126 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 89.5 mt -60.82 -42.24 91.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.581 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 86.5 mt -56.9 -39.85 67.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.341 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 94.4 mt -60.5 -44.23 96.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.466 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.406 ' N ' HD12 ' A' ' 111' ' ' ILE . 2.1 mp -65.01 -44.48 95.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.272 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 78.0 t -64.81 -39.32 85.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.089 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -53.16 -45.26 68.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.714 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -62.71 -41.23 99.03 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.872 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 78.1 p -71.61 -22.01 61.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.792 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.1 m . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.677 -179.818 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.8 ttp . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t -71.86 143.13 49.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.607 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.31 97.26 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.73 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.5 m -61.58 -45.22 95.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.518 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.7 144.61 57.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.597 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.77 143.02 57.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.439 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.41 ' OG1' ' SD ' ' A' ' 46' ' ' MET . 45.9 p -133.65 159.78 39.48 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.465 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.685 ' O ' HG13 ' A' ' 8' ' ' VAL . 11.8 p -162.53 75.11 2.11 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.285 0.564 . . . . 0.0 110.368 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -56.29 156.79 19.85 Favored 'Trans proline' 0 C--N 1.301 -1.966 0 C-N-CA 122.422 2.082 . . . . 0.0 112.128 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.36 152.22 79.35 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.66 2.24 . . . . 0.0 112.028 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.16 93.74 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.287 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.82 76.26 0.37 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.353 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -58.71 145.67 94.98 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.832 2.355 . . . . 0.0 112.023 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -159.29 157.32 30.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.527 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.07 168.24 43.65 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -148.11 151.54 35.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.833 0.349 . . . . 0.0 110.656 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.09 135.51 2.15 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.457 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 59.07 53.09 49.34 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 18' ' ' GLY . 36.3 Cg_endo -66.59 161.56 40.89 Favored 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.522 2.148 . . . . 0.0 112.045 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.25 143.56 77.75 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.634 2.223 . . . . 0.0 111.925 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.577 ' N ' ' CD ' ' A' ' 22' ' ' PRO . . . -78.48 -45.68 2.03 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.145 179.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 55.6 Cg_endo -82.0 161.73 18.26 Favored 'Trans proline' 0 C--N 1.313 -1.294 0 C-N-CA 122.371 2.048 . . . . 0.0 112.145 -178.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.5 163.48 15.18 Favored 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.564 2.176 . . . . 0.0 111.953 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.58 -19.89 53.96 Favored 'Trans proline' 0 C--N 1.308 -1.569 0 C-N-CA 122.769 2.313 . . . . 0.0 111.844 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -83.26 94.12 7.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.449 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.8 tp -174.91 -67.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.459 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.1 t -145.65 165.35 28.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.244 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.3 t -122.6 129.55 52.02 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.37 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -93.3 6.99 46.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.451 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -64.46 -42.55 95.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.627 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -62.63 -39.46 93.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.483 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.14 -32.2 73.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.608 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -53.07 -25.28 12.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.408 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -65.97 -33.69 76.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.572 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.429 HG22 ' H ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -75.34 175.15 8.67 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.997 0.427 . . . . 0.0 110.411 -179.554 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.429 ' H ' HG22 ' A' ' 35' ' ' THR . 87.0 mt-30 -93.19 -13.75 27.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.584 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.48 -41.6 94.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.606 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -74.43 -29.22 61.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.558 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.0 t -62.06 -43.63 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.473 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.46 ' O ' HG12 ' A' ' 43' ' ' VAL . 60.2 t0 -60.81 -34.58 74.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.456 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.31 -33.98 77.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.683 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.504 ' O ' HG12 ' A' ' 42' ' ' VAL . 95.5 t -63.3 -7.82 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.582 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.576 HG13 ' N ' ' A' ' 44' ' ' ASP . 7.2 p -60.34 -46.13 95.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.145 0.498 . . . . 0.0 110.644 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.576 ' N ' HG13 ' A' ' 43' ' ' VAL . 98.6 m-20 -63.43 -43.1 98.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.448 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.6 mm -64.94 -43.38 96.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.641 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.41 ' SD ' ' OG1' ' A' ' 7' ' ' THR . 45.6 ttp -51.81 -43.72 63.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.463 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -61.18 -43.05 99.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.479 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.9 t -66.22 -42.84 91.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.644 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -57.94 -41.18 82.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.078 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.8 t -64.11 -43.47 97.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.056 0.455 . . . . 0.0 110.734 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -63.34 -33.69 76.08 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.745 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -65.06 -34.12 77.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.314 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 56' ' ' ARG . 82.5 t -61.06 -47.13 94.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.48 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.538 HD22 ' N ' ' A' ' 54' ' ' LEU . 4.0 mm? -64.33 -38.13 89.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.691 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -58.65 -46.32 87.42 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.431 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' A' ' 53' ' ' VAL . 82.6 mmt-85 -98.08 137.26 37.14 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.652 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 58' ' ' GLN . 66.5 t0 -169.64 129.72 1.02 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.372 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.437 ' CD ' ' H ' ' A' ' 59' ' ' LYS . 0.5 OUTLIER 40.76 -163.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.979 0.418 . . . . 0.0 110.778 -179.83 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.437 ' H ' ' CD ' ' A' ' 58' ' ' GLN . 52.4 mttp 54.43 17.33 1.55 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.502 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.4 tp -62.96 -42.31 99.79 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.477 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.9 t -174.54 -71.87 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.68 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 64' ' ' ASP . 80.2 tt0 -172.21 -95.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.568 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.63 HD22 ' H ' ' A' ' 63' ' ' LEU . 3.7 mm? 39.59 25.0 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 62' ' ' GLU . 64.5 t0 -137.65 -89.9 0.24 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.65 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.434 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 54.6 p-10 -74.43 146.89 42.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.543 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -80.19 140.02 36.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.348 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -103.29 120.84 41.52 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.338 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.1 p-10 -157.79 22.5 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.578 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -171.96 -156.48 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.281 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.8 tp -138.5 -26.08 0.9 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -171.1 156.12 4.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.498 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -161.31 151.86 17.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.608 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.98 -41.94 97.07 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -101.32 115.65 30.99 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.78 0.324 . . . . 0.0 110.445 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.6 p -159.48 160.94 35.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.635 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.495 ' CD ' ' H ' ' A' ' 76' ' ' GLN . 1.0 OUTLIER -73.79 -15.47 61.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.643 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -63.04 -27.52 69.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -53.72 -20.56 5.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.552 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 45.1 p -71.11 -24.45 62.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.648 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 94.9 p -58.11 -31.58 67.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.444 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.3 -34.02 73.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.493 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.02 -44.89 91.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.662 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -63.61 -38.82 92.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.442 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 48.3 tp -62.72 -42.35 99.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.487 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.1 -38.92 88.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.421 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.608 ' NH2' HD21 ' A' ' 92' ' ' ASN . 83.7 mtp180 -62.64 -35.51 79.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.656 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -61.52 -36.8 81.58 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.61 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.44 ' O ' ' O ' ' A' ' 89' ' ' TRP . 91.2 t80 -60.26 -41.59 93.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.39 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.603 ' NE1' ' CE2' ' A' ' 90' ' ' TRP . 17.9 t-105 -55.92 -157.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.449 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.603 ' CE2' ' NE1' ' A' ' 89' ' ' TRP . 27.2 m0 -45.25 -76.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.458 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.446 ' C ' ' H ' ' A' ' 93' ' ' LEU . 8.1 mmtt -176.4 -28.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.651 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.608 HD21 ' NH2' ' A' ' 86' ' ' ARG . 62.1 t30 65.64 -3.24 0.73 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.552 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -63.86 -44.24 93.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.224 0.535 . . . . 0.0 110.516 -179.54 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -64.37 -33.96 77.07 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.47 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.479 ' SD ' ' OD1' ' A' ' 92' ' ' ASN . 58.1 mtt -62.27 -34.73 77.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.318 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 97.0 mmm -75.4 -38.34 59.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.05 -46.28 88.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.18 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.426 HG23 ' N ' ' A' ' 99' ' ' LEU . 20.5 tt -65.43 -38.59 82.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.619 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.426 ' N ' HG23 ' A' ' 98' ' ' ILE . 32.8 mt -62.7 -39.79 95.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.729 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.08 -33.62 84.79 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.0 t -63.24 -43.78 98.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.81 0.338 . . . . 0.0 110.524 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.6 mm -62.46 -44.48 99.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.339 0.59 . . . . 0.0 110.449 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.5 ' HA ' HD12 ' A' ' 106' ' ' ILE . 11.1 p -70.44 -32.64 70.3 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.832 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.77 -51.01 71.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.011 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 21.5 pt -64.94 -33.85 66.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 103' ' ' CYS . 82.4 mt -62.69 -42.29 95.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.306 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.4 tp -59.19 -42.94 92.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.564 -178.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 40.5 mm -63.01 -42.74 97.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.527 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.09 -42.98 97.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.332 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.7 mt -62.56 -44.74 99.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.521 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 33.1 mm -65.19 -44.48 95.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.764 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 70.4 t -67.31 -43.06 88.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.161 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.56 ' O ' HG22 ' A' ' 116' ' ' THR . 88.5 t80 -61.81 -40.28 94.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.696 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -63.75 -41.82 97.94 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.642 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.8 t -66.9 -19.03 65.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.932 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 113' ' ' TYR . 10.9 t . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.828 -1.082 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.403 ' C ' ' N ' ' A' ' 3' ' ' ALA . 88.7 mtp . . . . . 0 N--CA 1.492 1.642 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.422 ' O ' ' OG ' ' A' ' 2' ' ' SER . 11.5 t 44.98 22.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.589 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 1' ' ' MET . . . -176.11 9.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.656 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.1 m -123.67 128.13 49.19 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.972 0.415 . . . . 0.0 110.457 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -158.67 152.58 23.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.462 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -160.05 56.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.622 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.7 p -86.71 88.72 7.73 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.539 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 8' ' ' VAL . 8.3 p -71.36 129.63 88.7 Favored Pre-proline 0 N--CA 1.446 -0.652 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.715 -179.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -72.97 165.5 32.63 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.443 2.095 . . . . 0.0 112.311 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -51.03 140.62 39.4 Favored 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 122.382 2.054 . . . . 0.0 112.2 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -160.13 96.2 1.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.664 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.604 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 180.0 -44.52 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.406 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 12' ' ' ALA . 28.1 Cg_exo -60.99 144.62 99.62 Favored 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.675 2.25 . . . . 0.0 112.018 -179.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.08 150.24 27.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.475 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -97.15 133.81 11.52 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.75 -37.68 82.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.848 0.356 . . . . 0.0 110.586 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.46 -36.85 0.04 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 51.42 72.64 0.48 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.48 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 24.2 Cg_exo -61.9 -174.55 0.14 Allowed 'Trans proline' 0 C--N 1.303 -1.848 0 C-N-CA 122.697 2.265 . . . . 0.0 111.97 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.48 ' CD ' ' CB ' ' A' ' 19' ' ' PRO . 28.0 Cg_exo -60.95 145.08 99.58 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.633 2.222 . . . . 0.0 112.235 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.68 152.75 4.68 Favored Pre-proline 0 N--CA 1.452 -0.367 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.713 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.71 114.01 2.96 Favored 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 122.961 2.44 . . . . 0.0 112.061 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.404 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 50.0 Cg_exo -48.27 -178.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.42 2.08 . . . . 0.0 112.274 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 23' ' ' PRO . 31.1 Cg_exo -61.1 141.61 94.44 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.614 2.209 . . . . 0.0 112.209 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -63.32 -41.69 98.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.686 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.3 tp -165.9 125.7 1.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.475 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.3 p -139.89 -50.37 0.49 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.675 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.8 t -151.95 136.05 16.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.368 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.3 p30 -134.32 11.93 3.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.529 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -139.06 77.09 1.6 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.351 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -91.9 7.49 41.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.673 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.455 ' O ' ' OG1' ' A' ' 35' ' ' THR . 63.7 mt -70.06 -16.0 63.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.591 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -78.91 -45.7 20.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.483 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.45 ' O ' ' O ' ' A' ' 35' ' ' THR . 40.7 tt0 -95.62 19.03 11.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.575 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.565 HG22 ' H ' ' A' ' 36' ' ' GLN . 1.0 OUTLIER -45.99 174.64 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.836 -179.502 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.565 ' H ' HG22 ' A' ' 35' ' ' THR . 88.1 mt-30 -82.53 -12.23 57.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.73 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.88 -49.55 76.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.587 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -65.85 -31.94 73.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.508 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.531 ' O ' HG12 ' A' ' 42' ' ' VAL . 95.2 t -64.31 -43.23 97.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.413 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -61.79 -38.03 86.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.661 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -52.78 -18.63 1.96 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.621 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 39' ' ' VAL . 8.8 p -54.53 -29.27 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.329 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 77.3 t -61.36 -44.75 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.503 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.01 -40.35 95.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.446 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.6 mt -78.87 -30.79 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.986 0.422 . . . . 0.0 110.65 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 47.6 ttp -59.56 -48.41 81.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.857 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -65.9 -39.84 90.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.727 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.2 t -66.36 -43.1 91.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.432 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -57.98 -41.28 82.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.128 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.16 -43.64 98.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.084 0.468 . . . . 0.0 110.753 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -64.34 -33.68 76.41 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.355 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -66.02 -38.9 89.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.351 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.22 -45.65 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.561 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.88 -41.86 99.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.902 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -82.05 97.13 8.0 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.527 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -168.3 30.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.73 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -61.23 -50.82 71.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.519 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -141.87 155.23 45.54 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.89 0.376 . . . . 0.0 110.702 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -87.77 -6.6 58.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.596 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.11 140.04 58.83 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.66 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 t 55.33 83.8 0.08 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.475 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.503 ' C ' ' H ' ' A' ' 64' ' ' ASP . 44.0 tp10 -169.05 76.97 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.516 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 75.9 mt 50.66 9.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.681 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.503 ' H ' ' C ' ' A' ' 62' ' ' GLU . 49.4 t0 -67.88 145.98 54.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.464 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -64.27 -44.4 91.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.614 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.8 ptt-85 -158.69 174.1 15.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.555 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.59 149.97 47.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.558 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.428 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 49.8 p-10 -79.91 -0.74 36.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.565 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 68' ' ' ASP . . . 65.56 26.08 11.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.619 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.637 HD12 ' N ' ' A' ' 70' ' ' LEU . 9.1 mp 42.42 -109.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.539 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' A' ' 73' ' ' GLY . 25.8 mt-30 44.02 -169.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.489 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 44.88 -92.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.654 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 71' ' ' GLN . . . 178.24 -36.39 0.08 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 50.22 -151.79 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.761 0.315 . . . . 0.0 110.554 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.1 t -64.16 143.94 57.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.582 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -157.38 -35.64 0.08 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.488 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -95.01 -12.45 26.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.371 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -69.47 -35.86 76.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.513 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.447 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -64.61 -32.36 73.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.514 -179.685 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.4 m -58.8 -41.99 88.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.622 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.07 -22.78 67.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.713 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 79' ' ' THR . . . -56.18 -35.1 66.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.534 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -59.87 -41.43 91.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.539 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.73 -40.44 97.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.612 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -64.08 -37.02 85.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.697 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -60.66 -34.06 73.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.907 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -52.45 -39.29 60.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.395 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -60.55 -42.3 96.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.702 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -68.09 -48.36 65.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.624 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -64.22 -41.63 96.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -76.58 151.47 36.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.628 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -75.1 152.37 38.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.606 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.562 HD22 ' N ' ' A' ' 93' ' ' LEU . 3.9 mm? -63.16 -40.26 97.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.671 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -52.62 -34.49 51.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.408 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 42.9 tpp -60.22 -39.4 86.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.059 0.457 . . . . 0.0 110.392 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 28.3 ttt -67.85 -38.07 82.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.515 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 36.3 mm -60.89 -50.53 80.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 13.2 tt -67.8 -37.35 78.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.688 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.58 -41.07 98.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.521 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -62.27 -34.54 89.53 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.6 t -61.56 -45.66 98.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.589 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 59.2 mt -61.45 -50.24 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.788 -179.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 104' ' ' ALA . 8.7 p -60.97 -36.33 79.12 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.63 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.466 ' N ' ' SG ' ' A' ' 103' ' ' CYS . . . -59.51 -38.81 81.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.482 -179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.8 -42.73 97.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.456 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 32.6 mm -57.35 -38.52 62.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.27 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.38 -37.35 80.47 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.581 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.599 ' O ' HG23 ' A' ' 112' ' ' VAL . 35.4 mm -61.82 -42.61 95.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 33.3 mm -69.35 -42.83 81.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.602 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.92 -50.85 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.088 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.414 ' HA ' HD12 ' A' ' 111' ' ' ILE . 10.8 tp -66.78 -37.61 79.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -179.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 108' ' ' ILE . 37.5 t -66.08 -39.15 83.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.125 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -56.19 -46.34 79.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.552 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -62.19 -40.52 96.32 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.882 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.2 t -70.93 -33.79 70.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.757 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 C--O 1.219 -0.546 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.656 -179.611 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 m -60.46 139.34 57.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.408 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.7 -37.63 84.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.577 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.1 p -80.21 164.89 22.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.436 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -151.79 149.58 29.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.425 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.45 165.92 17.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.313 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -132.39 131.59 41.98 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.293 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.519 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 12.5 m -151.81 49.78 0.59 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.922 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 8' ' ' VAL . 19.0 Cg_endo -59.23 112.06 1.11 Allowed 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.872 2.381 . . . . 0.0 111.571 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.46 142.76 57.82 Favored 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.008 1.805 . . . . 0.0 112.176 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.81 170.16 16.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.177 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -143.3 73.61 17.68 Favored Pre-proline 0 N--CA 1.463 0.212 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.228 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -59.66 145.29 98.52 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.917 2.411 . . . . 0.0 111.746 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.44 157.27 17.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.214 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.83 162.68 54.79 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.496 ' N ' ' OE1' ' A' ' 16' ' ' GLU . 57.0 mp0 -80.45 148.87 30.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.915 0.388 . . . . 0.0 110.472 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.71 -7.36 74.43 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -46.04 -73.43 0.29 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.32 112.58 1.28 Allowed 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.68 2.253 . . . . 0.0 111.54 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.44 140.97 52.69 Favored 'Trans proline' 0 N--CA 1.498 1.771 0 C-N-CA 122.129 1.886 . . . . 0.0 112.153 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.91 155.68 1.03 Allowed Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.455 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -36.01 100.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.157 0 C-N-CA 122.948 2.432 . . . . 0.0 111.864 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -79.15 165.86 23.37 Favored 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 121.722 1.614 . . . . 0.0 112.361 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -49.3 135.72 31.64 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 122.135 1.89 . . . . 0.0 111.751 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -109.8 129.92 55.58 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.457 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.5 mt -63.97 -38.12 89.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.482 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.8 p -56.87 -39.28 74.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.368 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.5 t -68.3 130.39 42.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.392 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.6 p30 -174.84 60.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.556 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.407 ' C ' ' H ' ' A' ' 32' ' ' LEU . 88.8 mtm180 -79.91 -171.68 3.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.639 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 85.4 mtp180 -78.53 20.92 0.4 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.625 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.407 ' H ' ' C ' ' A' ' 30' ' ' ARG . 2.5 pp -51.54 -34.89 38.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.589 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -56.9 -20.14 21.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.223 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -65.31 -22.37 66.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.754 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.466 HG22 ' H ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -68.44 176.82 2.66 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.095 0.474 . . . . 0.0 110.289 -179.618 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.466 ' H ' HG22 ' A' ' 35' ' ' THR . 2.5 mp0 -74.3 -10.58 59.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.406 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.07 -46.62 61.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.406 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -65.22 -40.03 93.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.465 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.4 t -62.29 -43.99 98.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.287 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -46.64 -20.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.771 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -93.11 -38.36 11.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.39 -43.02 97.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.666 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 44' ' ' ASP . 9.7 p -54.77 -40.21 50.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.341 0.591 . . . . 0.0 110.46 -179.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.478 ' N ' HG13 ' A' ' 43' ' ' VAL . 65.6 t0 -58.75 -41.51 86.7 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.267 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.5 mm -64.28 -42.25 94.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.474 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.5 ttm -57.25 -40.0 76.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.61 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.98 -39.13 93.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.832 0.348 . . . . 0.0 110.561 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.9 t -63.68 -43.14 97.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -58.94 -40.05 83.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.232 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.49 -36.84 78.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.771 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -51.82 -25.3 7.47 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.68 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -66.31 -39.28 89.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.25 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.509 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 48.3 t -74.04 -24.06 19.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.855 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.06 -41.73 97.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.585 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.33 92.62 0.2 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.739 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.509 ' NH1' ' O ' ' A' ' 53' ' ' VAL . 86.0 mmt-85 -66.14 -42.22 89.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.651 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -77.59 141.63 39.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.267 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.471 ' NE2' ' O ' ' A' ' 56' ' ' ARG . 4.9 mp0 -109.21 123.69 49.65 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.232 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -97.92 1.3 47.89 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.534 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.565 ' H ' HD12 ' A' ' 60' ' ' LEU . 9.8 mp 41.73 74.5 0.11 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.494 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.5 p -161.7 78.9 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.376 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -172.05 -80.78 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.207 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.6 tp -114.7 120.02 38.69 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.911 0.386 . . . . 0.0 110.615 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -169.1 -27.09 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.534 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.5 p30 -84.66 -2.12 57.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.674 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 67' ' ' ALA . 74.4 ttp85 -132.59 133.26 43.45 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.184 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 66' ' ' ARG . . . 53.24 171.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.679 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 62.3 t0 57.84 39.09 27.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.601 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.438 ' O ' ' O ' ' A' ' 70' ' ' LEU . . . -155.3 156.44 35.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.471 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 70' ' ' LEU . 9.7 mp 54.28 110.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.55 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 53.05 -84.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.315 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . -137.55 -65.19 0.53 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.511 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 69.38 27.07 73.97 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -153.89 165.35 36.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.798 0.332 . . . . 0.0 110.664 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.51 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 12.7 m -149.08 -151.37 0.39 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.629 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 77' ' ' PHE . 40.0 tp60 -62.29 0.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.396 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.51 ' CD2' ' O ' ' A' ' 75' ' ' SER . 76.8 m-85 58.24 119.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.614 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -68.3 -38.44 81.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.812 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.414 ' H ' HG22 ' A' ' 79' ' ' THR . 0.0 OUTLIER -56.38 -41.23 75.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.455 -179.584 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.0 t -60.7 -42.68 97.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.666 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.2 -16.88 64.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.82 -48.8 63.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.474 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -63.35 -41.74 98.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.806 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 52.7 mt -62.5 -41.83 99.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.587 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -62.79 -40.11 96.3 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.578 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -62.72 -37.78 87.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.622 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -61.55 -43.48 98.79 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.713 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -97.23 48.96 1.05 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.547 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -149.78 -73.39 0.17 Allowed 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.618 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -55.8 -36.41 67.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.591 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -61.81 -176.11 0.08 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.403 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -92.93 16.38 12.73 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.829 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 93' ' ' LEU . 10.7 mp -82.48 2.26 33.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -59.22 -39.89 84.14 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.582 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 81.0 mmm -60.87 -38.69 86.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.367 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 66.0 mtt -60.11 -32.59 71.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.617 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 63.7 mt -60.94 -42.36 92.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.352 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.556 HD12 ' N ' ' A' ' 98' ' ' ILE . 1.8 mp -59.56 -42.32 87.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.002 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.2 mp -60.64 -40.98 93.97 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.372 -179.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -62.97 -36.25 93.19 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 73.3 t -62.72 -45.94 97.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.701 0.286 . . . . 0.0 110.684 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 59.7 mt -62.61 -47.69 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.212 0.53 . . . . 0.0 110.497 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 95.3 m -61.82 -36.82 82.28 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.613 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.7 -36.86 79.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.483 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.39 -44.37 97.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.619 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 63.0 mt -61.15 -39.29 81.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.19 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.9 tp -58.51 -37.99 76.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.468 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.559 ' O ' HG23 ' A' ' 112' ' ' VAL . 96.3 mt -61.56 -43.86 97.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 0.0 110.351 -179.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 109' ' ' ILE . 3.4 mp -66.93 -43.61 89.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.547 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.32 -52.1 65.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.063 -178.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 10.7 tp -66.81 -37.61 79.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.715 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 108' ' ' ILE . 30.2 t -65.13 -39.51 85.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.003 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -55.35 -46.01 76.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -178.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -61.61 -44.66 96.58 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.525 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.7 t -67.67 -18.39 64.92 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.935 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.8 t . . . . . 0 N--CA 1.468 0.454 0 CA-C-O 118.042 -0.98 . . . . 0.0 111.551 -179.925 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 ptp . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.7 p -154.09 -39.95 0.09 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.546 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.483 ' C ' ' H ' ' A' ' 5' ' ' ALA . . . 42.36 -162.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.724 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.7 p 49.33 11.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.644 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 7' ' ' THR . . . -74.95 144.73 43.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.618 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 60.62 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.718 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 5' ' ' ALA . 43.3 p 52.39 33.71 13.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.608 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.5 t 59.07 72.62 0.79 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.377 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -79.26 164.84 24.06 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.371 2.047 . . . . 0.0 112.428 -179.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -49.74 138.12 33.54 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.266 1.978 . . . . 0.0 112.095 178.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -80.36 -108.23 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.365 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 11' ' ' ALA . . . 174.73 154.38 0.31 Allowed Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.427 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.7 145.81 82.28 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.817 2.345 . . . . 0.0 112.041 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -171.05 -30.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.633 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.91 129.06 9.95 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.485 ' N ' ' CD ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -106.02 -103.16 0.33 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.955 0.407 . . . . 0.0 110.161 -179.864 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 140.15 -14.36 3.04 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.24 -170.35 54.83 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -57.02 158.27 18.03 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.672 2.248 . . . . 0.0 112.014 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.5 154.7 68.4 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.696 2.264 . . . . 0.0 112.034 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.543 ' N ' ' CD ' ' A' ' 22' ' ' PRO . . . 61.45 47.82 1.26 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.24 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 19.7 Cg_endo -57.1 112.81 1.22 Allowed 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.533 2.155 . . . . 0.0 111.503 -179.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.526 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 32.1 Cg_exo -49.0 -42.34 38.51 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.336 2.024 . . . . 0.0 112.021 178.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 23' ' ' PRO . 39.3 Cg_exo -60.24 146.77 95.69 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.43 2.087 . . . . 0.0 112.234 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.6 m120 55.15 89.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.64 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 71.2 mt -74.0 149.41 41.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.293 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.5 t -137.17 150.03 47.66 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.446 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.464 ' C ' ' H ' ' A' ' 30' ' ' ARG . 8.0 p -80.83 171.67 14.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.62 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -73.29 39.19 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.476 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.464 ' H ' ' C ' ' A' ' 28' ' ' SER . 74.1 ttp85 -85.65 -70.17 0.61 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.761 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -68.27 -42.99 78.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.082 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.498 ' H ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -81.68 17.55 1.44 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.112 -179.491 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -58.32 -11.07 2.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.385 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 35' ' ' THR . 65.9 tt0 -65.41 -32.44 74.08 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.606 HG23 ' H ' ' A' ' 37' ' ' ALA . 6.2 t 33.78 -152.15 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.847 0.356 . . . . 0.0 110.986 -179.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.528 ' N ' ' OG1' ' A' ' 35' ' ' THR . 99.0 mm-40 -96.45 -16.9 20.93 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.764 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.606 ' H ' HG23 ' A' ' 35' ' ' THR . . . -53.11 -48.7 67.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.605 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -66.05 -39.15 89.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.454 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.1 t -62.88 -44.08 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.567 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -54.13 -38.19 65.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.383 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -67.31 -35.42 79.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.523 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.2 t -65.92 -27.12 40.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.529 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.4 t -63.35 -45.91 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.468 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -63.11 -42.29 99.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.623 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.45 -43.4 98.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.48 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 75.6 mmm -64.3 -40.6 96.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.665 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -60.69 -43.12 98.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.53 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.41 -43.03 98.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.53 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -58.87 -41.09 86.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.269 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.7 t -65.01 -42.19 94.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.623 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 51' ' ' ASP . 66.7 t0 -61.4 -34.79 75.95 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.619 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.29 -35.66 81.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.436 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 85.6 t -63.56 -43.4 98.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.399 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.32 -33.94 74.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.514 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 57.22 65.84 1.29 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.508 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -128.63 130.93 47.96 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.983 0.421 . . . . 0.0 110.388 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 31.4 p-10 -87.31 113.67 23.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.394 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -151.86 99.47 2.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.541 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -152.2 -56.67 0.14 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.6 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 60' ' ' LEU . 10.3 mp -62.5 -41.79 99.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.371 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.7 t 51.29 9.5 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.684 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' A' ' 60' ' ' LEU . 72.4 mm-40 53.45 30.4 10.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.423 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 tp -163.11 24.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.676 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -61.64 -46.47 89.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.555 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.8 p-10 -160.2 175.19 13.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.623 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -73.06 142.17 47.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.405 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -131.24 120.31 23.05 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.672 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 69' ' ' ALA . 38.2 p-10 -74.34 -40.9 61.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.859 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.517 ' N ' ' OD1' ' A' ' 68' ' ' ASP . . . -171.48 110.68 0.31 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.377 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.425 ' H ' HD23 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -91.28 125.43 36.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.195 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -63.72 -39.32 94.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.533 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -164.41 -132.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.52 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 74' ' ' ALA . . . -63.04 -39.15 97.7 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 73' ' ' GLY . . . 59.95 120.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.757 0.313 . . . . 0.0 110.515 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.6 t -172.48 31.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.679 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -66.5 -28.22 68.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.55 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -65.22 -38.5 90.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.544 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.29 -38.47 90.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.507 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 68.8 p -64.45 -38.95 92.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.612 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.4 t -61.94 -43.31 99.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.555 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.37 -35.82 81.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.628 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.7 -35.61 76.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.677 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -59.93 -46.03 90.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.434 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.531 HD22 ' N ' ' A' ' 84' ' ' LEU . 4.0 mm? -63.55 -41.29 98.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.459 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.06 -37.46 87.27 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.559 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.2 tpt85 -60.32 -46.9 88.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.76 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -64.9 -42.76 94.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.679 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -60.91 -48.92 79.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.527 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 77.6 t-105 -67.49 -47.72 69.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.567 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.436 ' O ' ' O ' ' A' ' 91' ' ' LYS . 30.9 t90 -70.37 -74.46 0.14 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.581 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 90' ' ' TRP . 17.8 tptm 58.84 122.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.599 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -81.29 151.96 27.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.674 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 54.5 mt -63.96 -39.59 94.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.565 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.1 -42.6 95.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.661 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 58.2 mtt -64.46 -38.71 91.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.511 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 92.5 mtp -63.27 -40.88 98.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.484 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.91 -43.97 97.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.403 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.25 -42.78 97.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.339 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.596 ' O ' HD23 ' A' ' 99' ' ' LEU . 1.3 tt -61.62 -41.8 97.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.219 0.533 . . . . 0.0 110.143 -178.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -56.77 -37.37 76.96 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 80.3 t -61.9 -44.42 98.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.768 0.318 . . . . 0.0 110.509 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.9 mm -64.03 -43.77 97.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.482 0.658 . . . . 0.0 110.418 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 89.8 m -63.63 -36.36 83.56 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.485 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.82 -36.34 78.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.535 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.26 -42.36 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.497 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.4 mm -57.13 -39.08 64.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.27 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.38 -41.69 94.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.416 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.5 mm -64.38 -43.32 97.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.903 0.382 . . . . 0.0 110.39 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.66 -43.71 98.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.44 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.52 -43.31 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.449 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.8 mm -63.61 -44.08 98.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.623 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 78.8 t -66.96 -44.41 88.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.155 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -63.79 -39.25 93.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.787 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -60.14 -45.09 94.2 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.672 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.3 t -70.85 -36.21 72.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.604 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.2 m . . . . . 0 C--N 1.323 -0.577 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.681 -179.71 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.5 mtm . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 m -78.62 -7.0 57.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.489 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.76 141.35 58.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.466 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 57.3 p -101.6 2.1 38.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.571 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 61.28 -175.99 0.12 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.479 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -159.25 -165.26 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.488 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 t -148.45 148.56 30.43 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.504 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.707 ' O ' HG22 ' A' ' 8' ' ' VAL . 7.6 p -172.18 47.02 0.07 OUTLIER Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 121.543 0.687 . . . . 0.0 110.635 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 8' ' ' VAL . 25.0 Cg_endo -60.78 166.94 9.32 Favored 'Trans proline' 0 C--N 1.296 -2.21 0 C-N-CA 122.534 2.156 . . . . 0.0 112.387 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -50.97 140.28 39.66 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 122.543 2.162 . . . . 0.0 112.279 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.43 168.7 18.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.468 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.69 74.17 7.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.136 0.494 . . . . 0.0 110.482 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -60.26 146.28 96.78 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.889 2.393 . . . . 0.0 111.918 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -128.09 20.48 6.38 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.547 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.8 -34.42 89.89 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -61.68 138.64 58.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.353 . . . . 0.0 110.535 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.31 -25.09 0.02 OUTLIER Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.442 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -47.85 -53.84 12.97 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 18' ' ' GLY . 46.7 Cg_exo -52.79 155.61 10.48 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.588 2.192 . . . . 0.0 112.058 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.3 147.42 83.18 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.761 2.307 . . . . 0.0 112.128 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.3 152.79 3.99 Favored Pre-proline 0 N--CA 1.45 -0.468 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.712 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -64.34 113.29 2.19 Favored 'Trans proline' 0 C--N 1.314 -1.276 0 C-N-CA 122.866 2.378 . . . . 0.0 111.66 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.544 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 42.3 Cg_exo -48.15 -43.77 30.25 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 122.63 2.22 . . . . 0.0 112.165 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 23' ' ' PRO . 34.9 Cg_exo -59.45 144.43 99.41 Favored 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 122.524 2.149 . . . . 0.0 111.975 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.441 ' OD1' ' O ' ' A' ' 25' ' ' ASN . 31.4 p30 -146.86 126.32 13.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.538 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.2 tp -110.81 126.09 54.26 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.538 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.8 p -136.23 156.9 48.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.479 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.3 p -136.85 -38.46 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.586 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -95.02 132.8 39.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.31 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -134.1 113.87 12.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.494 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 90.9 mtm180 -87.32 -10.76 51.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.692 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.4 mt -62.2 -26.93 68.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.538 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -53.29 -40.32 64.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.649 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -66.15 -34.27 77.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.754 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.7 m -62.55 -47.06 85.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -80.75 -15.37 56.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.585 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.3 -43.51 92.61 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.633 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -64.92 -39.67 93.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.377 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.15 -43.02 92.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.404 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.474 ' O ' HG12 ' A' ' 43' ' ' VAL . 98.3 m-20 -65.04 -19.8 66.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.469 -179.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 -64.76 -31.35 72.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.467 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.403 HG12 ' O ' ' A' ' 42' ' ' VAL . 59.4 t -62.74 -15.51 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.569 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.547 HG13 ' N ' ' A' ' 44' ' ' ASP . 7.3 p -58.03 -44.35 86.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 -179.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.547 ' N ' HG13 ' A' ' 43' ' ' VAL . 48.7 t0 -54.11 -41.28 68.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.283 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 35.7 mm -63.51 -42.38 95.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.607 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 56.3 ttp -66.49 -36.4 82.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.604 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.16 -48.15 82.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.3 m -70.53 -27.21 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.884 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -63.04 -36.88 85.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.453 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.6 t -62.64 -39.01 83.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.329 0.585 . . . . 0.0 110.571 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -71.16 -35.5 71.68 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.895 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -65.8 -46.82 77.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.6 p -71.58 -27.52 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.753 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 63.3 tp -61.99 -43.65 98.4 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.795 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -172.86 136.81 0.71 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.618 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -64.58 -43.5 93.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.97 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -72.48 143.91 48.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.393 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -65.18 -17.04 64.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.634 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 76.3 tttt 61.53 40.28 13.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.66 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.3 tp -63.41 -42.46 98.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.611 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.499 ' C ' ' H ' ' A' ' 63' ' ' LEU . 1.2 t 171.66 -83.55 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.574 -179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 69.11 -40.72 0.46 Allowed 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.396 0.435 . . . . 0.0 110.576 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.499 ' H ' ' C ' ' A' ' 61' ' ' SER . 58.9 tp -62.64 -43.94 97.54 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.596 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -82.33 117.94 22.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.243 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -90.43 -137.2 0.13 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.319 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -61.0 -43.59 98.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.483 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 61.12 123.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.652 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.3 p30 -87.66 6.63 33.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.581 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 54.46 -109.58 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.624 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 39.4 tp 52.8 94.63 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.743 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -62.76 -35.16 78.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.677 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.19 141.87 58.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.485 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 165.0 -92.57 0.11 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -159.27 153.58 23.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.338 . . . . 0.0 110.595 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.511 ' C ' ' H ' ' A' ' 77' ' ' PHE . 5.6 t -60.34 -44.56 95.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.586 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.539 ' C ' ' H ' ' A' ' 78' ' ' GLU . 41.6 tt0 58.76 1.2 0.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.396 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.511 ' H ' ' C ' ' A' ' 75' ' ' SER . 74.0 m-85 58.25 -0.3 0.11 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.762 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.539 ' H ' ' C ' ' A' ' 76' ' ' GLN . 51.5 tp10 -67.73 -31.87 72.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.488 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.43 ' H ' HG22 ' A' ' 79' ' ' THR . 0.0 OUTLIER -63.28 -33.59 75.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.431 -179.376 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 93.6 p -58.64 -37.52 76.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.66 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.31 -27.63 69.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.617 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.05 -38.52 86.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.523 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -62.78 -42.32 99.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.566 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.563 ' N ' HD12 ' A' ' 84' ' ' LEU . 9.7 mp -65.95 -37.58 86.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.335 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -59.88 -32.23 70.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.518 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -44.33 -60.3 1.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.533 ' O ' ' N ' ' A' ' 89' ' ' TRP . 67.9 mttm -85.96 -44.32 12.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.763 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.455 ' O ' ' O ' ' A' ' 91' ' ' LYS . 69.2 t80 61.84 -67.02 0.07 Allowed 'General case' 0 C--O 1.231 0.107 0 O-C-N 123.43 0.456 . . . . 0.0 110.47 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.533 ' N ' ' O ' ' A' ' 87' ' ' LYS . 29.6 t90 -57.14 -51.09 70.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.389 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 26.7 t-105 -69.94 -52.25 26.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.682 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 88' ' ' TYR . 68.7 mttm -102.51 130.25 49.28 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.362 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.405 HD22 ' HB2' ' A' ' 94' ' ' LYS . 64.7 t30 -156.47 162.47 39.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.447 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 93' ' ' LEU . 10.0 mp -83.68 0.52 46.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.477 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.405 ' HB2' HD22 ' A' ' 92' ' ' ASN . 66.6 tttm -61.24 -37.1 81.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.557 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 98.2 mtp -63.49 -36.25 83.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.595 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.0 mmt -62.01 -39.32 91.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.416 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 36.7 mm -63.08 -43.9 99.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.511 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.85 -43.54 98.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.393 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.7 mt -61.71 -39.2 90.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.679 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.27 -34.96 90.09 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.485 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 72.0 t -61.51 -45.42 98.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.724 0.297 . . . . 0.0 110.496 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.406 ' O ' ' CG1' ' A' ' 105' ' ' ILE . 64.5 mt -60.56 -50.29 80.98 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.586 0 CA-C-O 121.269 0.557 . . . . 0.0 110.541 -179.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 13.2 p -64.98 -25.29 67.8 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.14 0.495 . . . . 0.0 110.593 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -54.75 -52.92 61.03 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.068 -178.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.406 ' CG1' ' O ' ' A' ' 102' ' ' ILE . 6.2 pt -62.64 -39.28 84.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.903 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.91 -41.91 77.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.2 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 80.2 mt -59.42 -38.86 81.72 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.272 -178.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.8 mm -59.96 -42.8 90.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.681 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.6 mm -62.93 -42.92 98.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.662 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 95.0 mt -62.44 -43.75 98.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.434 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.438 HD13 ' HA ' ' A' ' 111' ' ' ILE . 32.6 mm -64.36 -44.16 97.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.797 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 69.7 t -66.41 -42.95 91.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.224 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -60.11 -41.09 91.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.846 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -59.03 -42.58 90.55 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.541 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 83.8 p -79.64 -8.32 59.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.823 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 16.3 m . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.669 179.999 . . . . . . . . 0 0 . 1 stop_ save_